1-(3,4-difluorophenyl)benzimidazole-5-carboxylate

C14H7F2N2O2- — CID 3520017

IUPAC1-(3,4-difluorophenyl)benzimidazole-5-carboxylate
SMILESO=C([O-])c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1
InChIInChI=1S/C14H8F2N2O2/c15-10-3-2-9(6-11(10)16)18-7-17-12-5-8(14(19)20)1-4-13(12)18/h1-7H,(H,19,20)/p-1
InChIKeyZXIZLNKZYFQNDT-UHFFFAOYSA-M
MW273.22 g/mol
LogP1.67
Rot. Bonds2

About 1-(3,4-difluorophenyl)benzimidazole-5-carboxylate

1-(3,4-difluorophenyl)benzimidazole-5-carboxylate (PubChem CID 3520017) has the molecular formula C14H7F2N2O2- and a molecular weight of 273.22 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)benzimidazole-5-carboxylate
PubChem CID3520017
Molecular FormulaC14H7F2N2O2-
Molecular Weight273.22 g/mol
Exact Mass273.05
IUPAC Name1-(3,4-difluorophenyl)benzimidazole-5-carboxylate
SMILESO=C([O-])c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1
InChIInChI=1S/C14H8F2N2O2/c15-10-3-2-9(6-11(10)16)18-7-17-12-5-8(14(19)20)1-4-13(12)18/h1-7H,(H,19,20)/p-1
InChIKeyZXIZLNKZYFQNDT-UHFFFAOYSA-M
XLogP1.67
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)benzimidazole-5-carboxylate
CID 4525786
1-(4-propan-2-ylphenyl)benzimidazole-5-carboxylate
CID 4525946
1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]-2,2,2-trideuterioethanone
CID 52911485
1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide
CID 3448788
1-(3-cyano-4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 62315454
1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid
CID 107368788
1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate
CID 3519711
1-(3-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 63547813
1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 43566681
4-(5-bromobenzimidazol-1-yl)benzoic acid
CID 167161055
1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine
CID 164968478
[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 156810853

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)benzimidazole-5-carboxylate?
The IUPAC name of 1-(3,4-difluorophenyl)benzimidazole-5-carboxylate (CID 3520017) is 1-(3,4-difluorophenyl)benzimidazole-5-carboxylate.
What is the SMILES notation for 1-(3,4-difluorophenyl)benzimidazole-5-carboxylate?
The canonical SMILES for 1-(3,4-difluorophenyl)benzimidazole-5-carboxylate is O=C([O-])c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)benzimidazole-5-carboxylate?
The InChIKey is ZXIZLNKZYFQNDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8F2N2O2/c15-10-3-2-9(6-11(10)16)18-7-17-12-5-8(14(19)20)1-4-13(12)18/h1-7H,(H,19,20)/p-1.
What are the key properties of 1-(3,4-difluorophenyl)benzimidazole-5-carboxylate?
1-(3,4-difluorophenyl)benzimidazole-5-carboxylate has a molecular weight of 273.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 3520017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).