2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid

C16H13FN2O2 — CID 43140417

IUPAC2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1-c1ccccc1F
InChIInChI=1S/C16H13FN2O2/c1-2-15-18-12-9-10(16(20)21)7-8-14(12)19(15)13-6-4-3-5-11(13)17/h3-9H,2H2,1H3,(H,20,21)
InChIKeyIWSBGIGCQWNLPC-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.43
Rot. Bonds3

About 2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid

2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid (PubChem CID 43140417) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid
PubChem CID43140417
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid
SMILESCCc1nc2cc(C(=O)O)ccc2n1-c1ccccc1F
InChIInChI=1S/C16H13FN2O2/c1-2-15-18-12-9-10(16(20)21)7-8-14(12)19(15)13-6-4-3-5-11(13)17/h3-9H,2H2,1H3,(H,20,21)
InChIKeyIWSBGIGCQWNLPC-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-1-(2-fluorophenyl)benzimidazole-5-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

1-(4-chlorophenyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 43140431
3-(2-bromophenyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82769763
2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole-5-carboxylic acid
CID 106217017
2-ethyl-1-hexan-3-ylbenzimidazole-5-carboxylic acid
CID 62117854
1-[2-ethyl-1-(4-ethylphenyl)benzimidazol-5-yl]-2,2,2-trifluoroethanone
CID 173117261
2-ethyl-1-(2-pyrazol-1-ylethyl)benzimidazole-5-carboxylic acid
CID 61460804
3-benzhydryl-2-ethylbenzimidazole-5-carboxylic acid
CID 57260132
2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 114101513
2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 64688633

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid (CID 43140417) is 2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid is CCc1nc2cc(C(=O)O)ccc2n1-c1ccccc1F.
What is the InChIKey of 2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is IWSBGIGCQWNLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-2-15-18-12-9-10(16(20)21)7-8-14(12)19(15)13-6-4-3-5-11(13)17/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of 2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid?
2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid has a molecular weight of 284.29 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 43140417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).