N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C21H28ClN7O — CID 119799564

IUPACN-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2nc3ccccc3n2C2CCCC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C21H27N7O.ClH/c1-14-19(25-26-28(14)16-10-12-22-13-11-16)20(29)24-21-23-17-8-4-5-9-18(17)27(21)15-6-2-3-7-15;/h4-5,8-9,15-16,22H,2-3,6-7,10-13H2,1H3,(H,23,24,29);1H
InChIKeyYWYRNJJQRTYJSK-UHFFFAOYSA-N
MW429.96 g/mol
LogP3.65
Rot. Bonds4

About N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119799564) has the molecular formula C21H28ClN7O and a molecular weight of 429.96 g/mol. Its IUPAC name is N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119799564
Molecular FormulaC21H28ClN7O
Molecular Weight429.96 g/mol
Exact Mass429.20
IUPAC NameN-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)Nc2nc3ccccc3n2C2CCCC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C21H27N7O.ClH/c1-14-19(25-26-28(14)16-10-12-22-13-11-16)20(29)24-21-23-17-8-4-5-9-18(17)27(21)15-6-2-3-7-15;/h4-5,8-9,15-16,22H,2-3,6-7,10-13H2,1H3,(H,23,24,29);1H
InChIKeyYWYRNJJQRTYJSK-UHFFFAOYSA-N
XLogP3.65
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.96
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119799564) is N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)Nc2nc3ccccc3n2C2CCCC2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is YWYRNJJQRTYJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O.ClH/c1-14-19(25-26-28(14)16-10-12-22-13-11-16)20(29)24-21-23-17-8-4-5-9-18(17)27(21)15-6-2-3-7-15;/h4-5,8-9,15-16,22H,2-3,6-7,10-13H2,1H3,(H,23,24,29);1H.
What are the key properties of N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 429.96 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylbenzimidazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119799564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).