4-fluoro-1H-benzimidazole-2-carboxylic acid

C8H5FN2O2 — CID 2723751

IUPAC4-fluoro-1H-benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C8H5FN2O2/c9-4-2-1-3-5-6(4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyBNJMPMFWYOYNOG-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.40
Rot. Bonds1

About 4-fluoro-1H-benzimidazole-2-carboxylic acid

4-fluoro-1H-benzimidazole-2-carboxylic acid (PubChem CID 2723751) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 4-fluoro-1H-benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1H-benzimidazole-2-carboxylic acid
PubChem CID2723751
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name4-fluoro-1H-benzimidazole-2-carboxylic acid
SMILESO=C(O)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C8H5FN2O2/c9-4-2-1-3-5-6(4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyBNJMPMFWYOYNOG-UHFFFAOYSA-N
XLogP1.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-1H-benzimidazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-formyl-1H-benzimidazole-2-carboxylic acid
CID 131169172
4-chloro-5-fluoro-1H-benzimidazole-2-carboxylic acid
CID 177022077
4-phosphono-1H-benzimidazole-2-carboxylic acid
CID 19759680
5-bromo-4-fluoro-1H-benzimidazole-2-carboxylic acid
CID 118391328
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
4-(2-phosphonoethyl)-1H-benzimidazole-2-carboxylic acid
CID 19759647
4,5-diiodo-1H-benzimidazole-2-carboxylic acid
CID 130895280
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
4-[2-chloro-2-(4-fluoro-1H-benzimidazol-2-yl)ethenyl]-N-methylbenzamide
CID 154747623
2-(4-fluoro-1H-benzimidazol-2-yl)propan-2-ol
CID 64724359
5-methyl-1H-benzimidazole-2,4-dicarboxylic acid
CID 19759653
4-fluoro-1H-benzimidazole-2-carbonitrile
CID 83433358

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-benzimidazole-2-carboxylic acid?
The IUPAC name of 4-fluoro-1H-benzimidazole-2-carboxylic acid (CID 2723751) is 4-fluoro-1H-benzimidazole-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-1H-benzimidazole-2-carboxylic acid?
The canonical SMILES for 4-fluoro-1H-benzimidazole-2-carboxylic acid is O=C(O)c1nc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-1H-benzimidazole-2-carboxylic acid?
The InChIKey is BNJMPMFWYOYNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-4-2-1-3-5-6(4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 4-fluoro-1H-benzimidazole-2-carboxylic acid?
4-fluoro-1H-benzimidazole-2-carboxylic acid has a molecular weight of 180.14 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-benzimidazole-2-carboxylic acid is sourced from PubChem (CID 2723751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).