methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate

C15H11FN2O3 — CID 164735105

IUPACmethyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(=O)n(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H11FN2O3/c1-21-14(19)9-2-7-12-13(8-9)18(15(20)17-12)11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,20)
InChIKeyIHTSMUNXXVEOLB-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.24
Rot. Bonds2

About methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate

methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate (PubChem CID 164735105) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate
PubChem CID164735105
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Namemethyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(=O)n(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H11FN2O3/c1-21-14(19)9-2-7-12-13(8-9)18(15(20)17-12)11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,20)
InChIKeyIHTSMUNXXVEOLB-UHFFFAOYSA-N
XLogP2.24
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-3H-benzimidazol-1-yl]benzoate
CID 167061903
methyl 4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzoate
CID 59556258
methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate
CID 141422866
methyl 1-[3-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-2-oxobenzimidazole-5-carboxylate
CID 164735018
5-hydroxy-3-(4-hydroxyphenyl)-1H-benzimidazol-2-one
CID 117208442
CID 170307924
CID 170307924
6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one
CID 110491205
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate
CID 165172104
3-(2-fluoro-5-methylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82769492
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
methyl 4-[[3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137421

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate (CID 164735105) is methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate is COC(=O)c1ccc2[nH]c(=O)n(-c3ccc(F)cc3)c2c1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate?
The InChIKey is IHTSMUNXXVEOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-21-14(19)9-2-7-12-13(8-9)18(15(20)17-12)11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,20).
What are the key properties of methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate?
methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate has a molecular weight of 286.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate is sourced from PubChem (CID 164735105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).