2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide

C16H16N4O — CID 110765531

IUPAC2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3ccncc3)cc2[nH]1
InChIInChI=1S/C16H16N4O/c1-2-15-19-13-4-3-12(9-14(13)20-15)16(21)18-10-11-5-7-17-8-6-11/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyHRPGBRLHQMQELA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.45
Rot. Bonds4

About 2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide

2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 110765531) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID110765531
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3ccncc3)cc2[nH]1
InChIInChI=1S/C16H16N4O/c1-2-15-19-13-4-3-12(9-14(13)20-15)16(21)18-10-11-5-7-17-8-6-11/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyHRPGBRLHQMQELA-UHFFFAOYSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110772732
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110765535
2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 46328885
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
N-[(4-chlorophenyl)methyl]-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789572
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 110765531) is 2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide is CCc1nc2ccc(C(=O)NCc3ccncc3)cc2[nH]1.
What is the InChIKey of 2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is HRPGBRLHQMQELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-15-19-13-4-3-12(9-14(13)20-15)16(21)18-10-11-5-7-17-8-6-11/h3-9H,2,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide?
2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).