3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

C15H12FN3O2 — CID 9453257

IUPAC3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1F
InChIInChI=1S/C15H12FN3O2/c1-8-2-3-9(6-11(8)16)14(20)17-10-4-5-12-13(7-10)19-15(21)18-12/h2-7H,1H3,(H,17,20)(H2,18,19,21)
InChIKeyKKXCFRXUTBKGJF-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.56
Rot. Bonds2

About 3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide

3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (PubChem CID 9453257) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
PubChem CID9453257
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1F
InChIInChI=1S/C15H12FN3O2/c1-8-2-3-9(6-11(8)16)14(20)17-10-4-5-12-13(7-10)19-15(21)18-12/h2-7H,1H3,(H,17,20)(H2,18,19,21)
InChIKeyKKXCFRXUTBKGJF-UHFFFAOYSA-N
XLogP2.56
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.56
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
1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 50797469
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
5-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 146080739
N-(2-methyl-4-pyridinyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692425
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
6-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-pyridine-3-carboxamide
CID 26017164
3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110427991
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propoxybenzamide
CID 2994717
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
4-(difluoromethylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24560241
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide (CID 9453257) is 3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
The InChIKey is KKXCFRXUTBKGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-8-2-3-9(6-11(8)16)14(20)17-10-4-5-12-13(7-10)19-15(21)18-12/h2-7H,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide?
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide has a molecular weight of 285.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 9453257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).