2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide

C14H11N3O2 — CID 110701230

IUPAC2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C14H11N3O2/c18-13(15-9-5-2-1-3-6-9)10-7-4-8-11-12(10)17-14(19)16-11/h1-8H,(H,15,18)(H2,16,17,19)
InChIKeySQLFXYCMAADVBW-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.11
Rot. Bonds2

About 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide

2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide (PubChem CID 110701230) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide
PubChem CID110701230
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C14H11N3O2/c18-13(15-9-5-2-1-3-6-9)10-7-4-8-11-12(10)17-14(19)16-11/h1-8H,(H,15,18)(H2,16,17,19)
InChIKeySQLFXYCMAADVBW-UHFFFAOYSA-N
XLogP2.11
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701251
N-(3,4-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701322
N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701288
N-cyclopentadecyl-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 72548098
2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
CID 110701067
2-hydroxy-N-phenylbenzamide
CID 157209959
N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701163
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-hydrazinyl-N-phenylbenzamide
CID 12569370
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
CID 46228640
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide?
The IUPAC name of 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide (CID 110701230) is 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide?
The canonical SMILES for 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide is O=C(Nc1ccccc1)c1cccc2[nH]c(=O)[nH]c12.
What is the InChIKey of 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide?
The InChIKey is SQLFXYCMAADVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-13(15-9-5-2-1-3-6-9)10-7-4-8-11-12(10)17-14(19)16-11/h1-8H,(H,15,18)(H2,16,17,19).
What are the key properties of 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide?
2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-phenyl-1,3-dihydrobenzimidazole-4-carboxamide is sourced from PubChem (CID 110701230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).