N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

C17H21N7O — CID 119678510

IUPACN-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCn1c(NC(=O)c2cn(C3CCNCC3)nn2)nc2ccccc21
InChIInChI=1S/C17H21N7O/c1-2-23-15-6-4-3-5-13(15)19-17(23)20-16(25)14-11-24(22-21-14)12-7-9-18-10-8-12/h3-6,11-12,18H,2,7-10H2,1H3,(H,19,20,25)
InChIKeyTWDVIHYVIYJBPW-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.82
Rot. Bonds4

About N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119678510) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119678510
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCn1c(NC(=O)c2cn(C3CCNCC3)nn2)nc2ccccc21
InChIInChI=1S/C17H21N7O/c1-2-23-15-6-4-3-5-13(15)19-17(23)20-16(25)14-11-24(22-21-14)12-7-9-18-10-8-12/h3-6,11-12,18H,2,7-10H2,1H3,(H,19,20,25)
InChIKeyTWDVIHYVIYJBPW-UHFFFAOYSA-N
XLogP1.82
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-ethylbenzimidazol-2-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 175643277
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119889989
1-piperidin-4-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride
CID 119888822
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283426
N-(1-ethylbenzimidazol-2-yl)-6-methylpyridine-2-carboxamide
CID 46540923
N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119769374
N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119686694
N-[3-(benzimidazol-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119834571

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119678510) is N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is CCn1c(NC(=O)c2cn(C3CCNCC3)nn2)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is TWDVIHYVIYJBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-2-23-15-6-4-3-5-13(15)19-17(23)20-16(25)14-11-24(22-21-14)12-7-9-18-10-8-12/h3-6,11-12,18H,2,7-10H2,1H3,(H,19,20,25).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119678510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).