D6V

2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole

Created:	2017-10-20
Last modified:	2020-04-22

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1 entries where D6V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	29
Aromatic Bond Count	10

2D diagram of D6V

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Chemical Component Summary
Name	2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole
Systematic Name (OpenEye OEToolkits)	2-[(3~{S})-pyrrolidin-3-yl]-1~{H}-benzimidazole
Formula	C₁₁ H₁₃ N₃
Molecular Weight	187.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c32nc(C1CNCC1)nc2cccc3
SMILES	CACTVS	3.385	C1C[CH](CN1)c2[nH]c3ccccc3n2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)[nH]c(n2)C3CCNC3
Canonical SMILES	CACTVS	3.385	C1C[C@@H](CN1)c2[nH]c3ccccc3n2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)[nH]c(n2)[C@H]3CCNC3
InChI	InChI	1.03	InChI=1S/C11H13N3/c1-2-4-10-9(3-1)13-11(14-10)8-5-6-12-7-8/h1-4,8,12H,5-7H2,(H,13,14)/t8-/m0/s1
InChIKey	InChI	1.03	OFQGVINTJUCLFL-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	51137109

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