1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid

C15H10F2N2O2 — CID 3239704

IUPAC1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2O2/c1-8-18-12-6-9(15(20)21)2-4-14(12)19(8)13-5-3-10(16)7-11(13)17/h2-7H,1H3,(H,20,21)
InChIKeyIZUUWRZMRVYXQI-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.31
Rot. Bonds2

About 1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid

1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 3239704) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID3239704
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1F
InChIInChI=1S/C15H10F2N2O2/c1-8-18-12-6-9(15(20)21)2-4-14(12)19(8)13-5-3-10(16)7-11(13)17/h2-7H,1H3,(H,20,21)
InChIKeyIZUUWRZMRVYXQI-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid (CID 3239704) is 1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is IZUUWRZMRVYXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c1-8-18-12-6-9(15(20)21)2-4-14(12)19(8)13-5-3-10(16)7-11(13)17/h2-7H,1H3,(H,20,21).
What are the key properties of 1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 288.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 3239704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).