1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide

C21H28N6O — CID 42513114

IUPAC1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
SMILESCc1ccc2nc([C@@H](NC(=O)c3cn(C4CCCCC4)nn3)C(C)C)[nH]c2c1
InChIInChI=1S/C21H28N6O/c1-13(2)19(20-22-16-10-9-14(3)11-17(16)23-20)24-21(28)18-12-27(26-25-18)15-7-5-4-6-8-15/h9-13,15,19H,4-8H2,1-3H3,(H,22,23)(H,24,28)/t19-/m0/s1
InChIKeyZFHATDFUCKCUFP-IBGZPJMESA-N
MW380.50 g/mol
LogP4.10
Rot. Bonds5

About 1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide

1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide (PubChem CID 42513114) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
PubChem CID42513114
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
SMILESCc1ccc2nc([C@@H](NC(=O)c3cn(C4CCCCC4)nn3)C(C)C)[nH]c2c1
InChIInChI=1S/C21H28N6O/c1-13(2)19(20-22-16-10-9-14(3)11-17(16)23-20)24-21(28)18-12-27(26-25-18)15-7-5-4-6-8-15/h9-13,15,19H,4-8H2,1-3H3,(H,22,23)(H,24,28)/t19-/m0/s1
InChIKeyZFHATDFUCKCUFP-IBGZPJMESA-N
XLogP4.10
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
CID 42197056
5-(difluoromethyl)-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 118778051
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
1-N'-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]cyclopropane-1,1-dicarboxamide
CID 86284531
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 25487064
5,6-dimethyl-N-[2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 131935989
2-ethyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyrimidine-5-carboxamide
CID 125164946
N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119782766
[(1R)-1-[(1-cyclohexyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155512795
1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea
CID 126449238
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 95201522
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide
CID 126448321

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide (CID 42513114) is 1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide is Cc1ccc2nc([C@@H](NC(=O)c3cn(C4CCCCC4)nn3)C(C)C)[nH]c2c1.
What is the InChIKey of 1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide?
The InChIKey is ZFHATDFUCKCUFP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N6O/c1-13(2)19(20-22-16-10-9-14(3)11-17(16)23-20)24-21(28)18-12-27(26-25-18)15-7-5-4-6-8-15/h9-13,15,19H,4-8H2,1-3H3,(H,22,23)(H,24,28)/t19-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide?
1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide is sourced from PubChem (CID 42513114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).