N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C16H15N3O2 — CID 110692366

IUPACN-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-10-3-6-12(7-4-10)17-15(20)11-5-8-13-14(9-11)19-16(21)18-13/h3-9H,2H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyWEOXPWPKGTVPNZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.67
Rot. Bonds3

About N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 110692366) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID110692366
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-10-3-6-12(7-4-10)17-15(20)11-5-8-13-14(9-11)19-16(21)18-13/h3-9H,2H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyWEOXPWPKGTVPNZ-UHFFFAOYSA-N
XLogP2.67
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692387
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514
N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698301
N-(2-methyl-4-pyridinyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692425
N-(4-ethylphenyl)benzamide
CID 774063
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propoxybenzamide
CID 2994717
3-ethyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24605772
3-(diethylsulfamoyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 2326018
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-amino-N-(4-ethylphenyl)-3-fluorobenzamide
CID 62678871

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 110692366) is N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is CCc1ccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is WEOXPWPKGTVPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-10-3-6-12(7-4-10)17-15(20)11-5-8-13-14(9-11)19-16(21)18-13/h3-9H,2H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 110692366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).