1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide

C20H21N7O — CID 167815697

IUPAC1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)nn1
InChIInChI=1S/C20H21N7O/c1-14(2)27-13-17(24-25-27)19(28)23-20-22-16-8-3-4-9-18(16)26(20)12-10-15-7-5-6-11-21-15/h3-9,11,13-14H,10,12H2,1-2H3,(H,22,23,28)
InChIKeyHLRMLKHDCUHHCN-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.10
Rot. Bonds6

About 1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide

1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide (PubChem CID 167815697) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide
PubChem CID167815697
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)nn1
InChIInChI=1S/C20H21N7O/c1-14(2)27-13-17(24-25-27)19(28)23-20-22-16-8-3-4-9-18(16)26(20)12-10-15-7-5-6-11-21-15/h3-9,11,13-14H,10,12H2,1-2H3,(H,22,23,28)
InChIKeyHLRMLKHDCUHHCN-UHFFFAOYSA-N
XLogP3.10
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-2-carboxamide
CID 167971405
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 167991259
6-(1,1-difluoroethyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167807665
4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167795718
4-(2,2-difluoroethoxy)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167956341
5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167821747
2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167793542
3,4-dibromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 167838423
5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide
CID 167979091
3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 167796521
5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide
CID 167806826
2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167795641

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide (CID 167815697) is 1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide is CC(C)n1cc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)nn1.
What is the InChIKey of 1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide?
The InChIKey is HLRMLKHDCUHHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-14(2)27-13-17(24-25-27)19(28)23-20-22-16-8-3-4-9-18(16)26(20)12-10-15-7-5-6-11-21-15/h3-9,11,13-14H,10,12H2,1-2H3,(H,22,23,28).
What are the key properties of 1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide?
1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 167815697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).