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

C16H15N3O2 — CID 110692364

IUPACN-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C
InChIInChI=1S/C16H15N3O2/c1-9-4-3-5-12(10(9)2)17-15(20)11-6-7-13-14(8-11)19-16(21)18-13/h3-8H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyFJEBRYPYOQNHDD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.73
Rot. Bonds2

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

N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 110692364) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID110692364
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C
InChIInChI=1S/C16H15N3O2/c1-9-4-3-5-12(10(9)2)17-15(20)11-6-7-13-14(8-11)19-16(21)18-13/h3-8H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyFJEBRYPYOQNHDD-UHFFFAOYSA-N
XLogP2.73
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 110867241
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 8712515
N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide
CID 110867247
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 167970718
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 110692364) is N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is Cc1cccc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is FJEBRYPYOQNHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-4-3-5-12(10(9)2)17-15(20)11-6-7-13-14(8-11)19-16(21)18-13/h3-8H,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 110692364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).