5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H24ClN7O2 — CID 119813044

IUPAC5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCn2c(=O)[nH]c3ccccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H23N7O2.ClH/c1-12-16(22-23-25(12)13-6-8-19-9-7-13)17(26)20-10-11-24-15-5-3-2-4-14(15)21-18(24)27;/h2-5,13,19H,6-11H2,1H3,(H,20,26)(H,21,27);1H
InChIKeyXYNDGXSIAPSYEH-UHFFFAOYSA-N
MW405.89 g/mol
LogP1.01
Rot. Bonds5

About 5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119813044) has the molecular formula C18H24ClN7O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119813044
Molecular FormulaC18H24ClN7O2
Molecular Weight405.89 g/mol
Exact Mass405.17
IUPAC Name5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCn2c(=O)[nH]c3ccccc32)nnn1C1CCNCC1.Cl
InChIInChI=1S/C18H23N7O2.ClH/c1-12-16(22-23-25(12)13-6-8-19-9-7-13)17(26)20-10-11-24-15-5-3-2-4-14(15)21-18(24)27;/h2-5,13,19H,6-11H2,1H3,(H,20,26)(H,21,27);1H
InChIKeyXYNDGXSIAPSYEH-UHFFFAOYSA-N
XLogP1.01
TPSA109.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
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N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 126792948
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705388
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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5-methyl-1-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]triazole-4-carboxamide
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5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119813044) is 5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCCn2c(=O)[nH]c3ccccc32)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is XYNDGXSIAPSYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2.ClH/c1-12-16(22-23-25(12)13-6-8-19-9-7-13)17(26)20-10-11-24-15-5-3-2-4-14(15)21-18(24)27;/h2-5,13,19H,6-11H2,1H3,(H,20,26)(H,21,27);1H.
What are the key properties of 5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 405.89 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119813044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).