1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid

C14H7Cl2FN2O2 — CID 83078714

IUPAC1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H7Cl2FN2O2/c15-9-4-8(17)5-10(16)13(9)19-6-18-11-3-7(14(20)21)1-2-12(11)19/h1-6H,(H,20,21)
InChIKeyRXOJHJNIVXIFGW-UHFFFAOYSA-N
MW325.13 g/mol
LogP4.17
Rot. Bonds2

About 1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid

1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 83078714) has the molecular formula C14H7Cl2FN2O2 and a molecular weight of 325.13 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID83078714
Molecular FormulaC14H7Cl2FN2O2
Molecular Weight325.13 g/mol
Exact Mass323.99
IUPAC Name1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H7Cl2FN2O2/c15-9-4-8(17)5-10(16)13(9)19-6-18-11-3-7(14(20)21)1-2-12(11)19/h1-6H,(H,20,21)
InChIKeyRXOJHJNIVXIFGW-UHFFFAOYSA-N
XLogP4.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid
CID 107368788
1-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 43566681
1-(3-cyano-4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 62315454
1-(1,5-dimethylpyrazol-3-yl)benzimidazole-5-carboxylic acid
CID 114253802
1-(2-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 43566633
3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790998
3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid
CID 82774507
1-(3-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 63547813
1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid
CID 43806541
1-(3,6-dihydro-2H-pyran-4-yl)benzimidazole-5-carboxylic acid
CID 130229154
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
1-morpholin-4-ylbenzimidazole-5-carboxylic acid
CID 83019703

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid (CID 83078714) is 1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is RXOJHJNIVXIFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN2O2/c15-9-4-8(17)5-10(16)13(9)19-6-18-11-3-7(14(20)21)1-2-12(11)19/h1-6H,(H,20,21).
What are the key properties of 1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid?
1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid has a molecular weight of 325.13 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-fluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 83078714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).