T91

N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide

Created:	2020-03-16
Last modified:	2020-04-22

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1 entries where T91 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	10

2D diagram of T91

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Chemical Component Summary
Name	N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-(1~{H}-benzimidazol-2-yl)ethyl]-2,2-dimethyl-propanamide
Formula	C₁₄ H₁₉ N₃ O
Molecular Weight	245.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(CCNC(C(C)(C)C)=O)nc2c1cccc2
SMILES	CACTVS	3.385	CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1
Canonical SMILES	CACTVS	3.385	CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1
InChI	InChI	1.03	InChI=1S/C14H19N3O/c1-14(2,3)13(18)15-9-8-12-16-10-6-4-5-7-11(10)17-12/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey	InChI	1.03	UNNWFVAPBAIWDQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	751340

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