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

C20H26N6O — CID 42197056

IUPAC1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C20H26N6O/c1-3-15(19-21-16-10-9-13(2)11-17(16)22-19)23-20(27)18-12-26(25-24-18)14-7-5-4-6-8-14/h9-12,14-15H,3-8H2,1-2H3,(H,21,22)(H,23,27)/t15-/m0/s1
InChIKeyFMVDRAPGUMKHNN-HNNXBMFYSA-N
MW366.47 g/mol
LogP3.85
Rot. Bonds5

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

1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide (PubChem CID 42197056) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
PubChem CID42197056
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C20H26N6O/c1-3-15(19-21-16-10-9-13(2)11-17(16)22-19)23-20(27)18-12-26(25-24-18)14-7-5-4-6-8-14/h9-12,14-15H,3-8H2,1-2H3,(H,21,22)(H,23,27)/t15-/m0/s1
InChIKeyFMVDRAPGUMKHNN-HNNXBMFYSA-N
XLogP3.85
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
CID 42513114
N-[1-(4-chlorophenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119699892
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 25487064
[(1R)-1-[(1-cyclohexyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155512795
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 86287124
N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126440928
ethyl 3-[(1-cyclohexyltriazole-4-carbonyl)amino]heptanoate
CID 45227567
1-[(1-hydroxycyclohexyl)methyl]-3-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]urea
CID 126449238
N-[1-(3-nitrophenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815921
1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
CID 95722766
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide (CID 42197056) is 1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide is CC[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide?
The InChIKey is FMVDRAPGUMKHNN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-15(19-21-16-10-9-13(2)11-17(16)22-19)23-20(27)18-12-26(25-24-18)14-7-5-4-6-8-14/h9-12,14-15H,3-8H2,1-2H3,(H,21,22)(H,23,27)/t15-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide?
1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.85, 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)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide is sourced from PubChem (CID 42197056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).