N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide

C17H16N4O2 — CID 110765583

IUPACN-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2[nH]1
InChIInChI=1S/C17H16N4O2/c1-2-15-19-13-8-7-10(9-14(13)20-15)17(23)21-12-6-4-3-5-11(12)16(18)22/h3-9H,2H2,1H3,(H2,18,22)(H,19,20)(H,21,23)
InChIKeyWKLGKPVKPRGGBF-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.48
Rot. Bonds4

About N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide

N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide (PubChem CID 110765583) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide
PubChem CID110765583
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2[nH]1
InChIInChI=1S/C17H16N4O2/c1-2-15-19-13-8-7-10(9-14(13)20-15)17(23)21-12-6-4-3-5-11(12)16(18)22/h3-9H,2H2,1H3,(H2,18,22)(H,19,20)(H,21,23)
InChIKeyWKLGKPVKPRGGBF-UHFFFAOYSA-N
XLogP2.48
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692517
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 110765610
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
2-benzamidobenzamide
CID 702115
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
4-[[2-(2-ethyl-3H-benzimidazol-5-yl)acetyl]amino]benzamide
CID 110772780
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide (CID 110765583) is N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide is CCc1nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2[nH]1.
What is the InChIKey of N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is WKLGKPVKPRGGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-15-19-13-8-7-10(9-14(13)20-15)17(23)21-12-6-4-3-5-11(12)16(18)22/h3-9H,2H2,1H3,(H2,18,22)(H,19,20)(H,21,23).
What are the key properties of N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide?
N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).