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

C16H15N3O3 — CID 110692387

IUPACN-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H15N3O3/c1-2-22-12-6-4-11(5-7-12)17-15(20)10-3-8-13-14(9-10)19-16(21)18-13/h3-9H,2H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyHJZFINGAJFLUQE-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.51
Rot. Bonds4

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

N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 110692387) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID110692387
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H15N3O3/c1-2-22-12-6-4-11(5-7-12)17-15(20)10-3-8-13-14(9-10)19-16(21)18-13/h3-9H,2H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyHJZFINGAJFLUQE-UHFFFAOYSA-N
XLogP2.51
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propoxybenzamide
CID 2994717
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057223

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 110692387) is N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is CCOc1ccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is HJZFINGAJFLUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-22-12-6-4-11(5-7-12)17-15(20)10-3-8-13-14(9-10)19-16(21)18-13/h3-9H,2H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 110692387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).