7U9

2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide

Created:	2016-12-12
Last modified:	2017-01-25

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1 entries where 7U9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	10

2D diagram of 7U9

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Chemical Component Summary
Name	2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)	2-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-1~{H}-benzimidazole-4-carboxamide
Formula	C₁₃ H₁₅ N₅ O₂
Molecular Weight	273.291
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH]1CCN(C1)C(=O)c2[nH]c3cccc(C(N)=O)c3n2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCC(C3)N)C(=O)N
Canonical SMILES	CACTVS	3.385	N[C@@H]1CCN(C1)C(=O)c2[nH]c3cccc(C(N)=O)c3n2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c2c(c1)[nH]c(n2)C(=O)N3CC[C@H](C3)N)C(=O)N
InChI	InChI	1.03	InChI=1S/C13H15N5O2/c14-7-4-5-18(6-7)13(20)12-16-9-3-1-2-8(11(15)19)10(9)17-12/h1-3,7H,4-6,14H2,(H2,15,19)(H,16,17)/t7-/m1/s1
InChIKey	InChI	1.03	WHEDMAICUFWICE-SSDOTTSWSA-N

Related Resource References

Resource Name	Reference
PubChem	124037119

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