2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide

C18H19N3O — CID 110765518

IUPAC2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3ccc(C)cc3)cc2[nH]1
InChIInChI=1S/C18H19N3O/c1-3-17-20-15-9-8-14(10-16(15)21-17)18(22)19-11-13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUVULESBKQBZJDQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.36
Rot. Bonds4

About 2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide

2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110765518) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID110765518
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3ccc(C)cc3)cc2[nH]1
InChIInChI=1S/C18H19N3O/c1-3-17-20-15-9-8-14(10-16(15)21-17)18(22)19-11-13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUVULESBKQBZJDQ-UHFFFAOYSA-N
XLogP3.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 46328885
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
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
N-[(4-chlorophenyl)methyl]-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789572
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 110765610
N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71690232

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 110765518) is 2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide is CCc1nc2ccc(C(=O)NCc3ccc(C)cc3)cc2[nH]1.
What is the InChIKey of 2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is UVULESBKQBZJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-17-20-15-9-8-14(10-16(15)21-17)18(22)19-11-13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide?
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).