2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol

C16H15FN2O — CID 136678120

IUPAC2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol
SMILESCCn1c(-c2c(O)cccc2F)nc2cc(C)ccc21
InChIInChI=1S/C16H15FN2O/c1-3-19-13-8-7-10(2)9-12(13)18-16(19)15-11(17)5-4-6-14(15)20/h4-9,20H,3H2,1-2H3
InChIKeyAOBMJJLAPMUEIK-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.88
Rot. Bonds2

About 2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol

2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol (PubChem CID 136678120) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol.

Molecular Properties

Compound Name2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol
PubChem CID136678120
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol
SMILESCCn1c(-c2c(O)cccc2F)nc2cc(C)ccc21
InChIInChI=1S/C16H15FN2O/c1-3-19-13-8-7-10(2)9-12(13)18-16(19)15-11(17)5-4-6-14(15)20/h4-9,20H,3H2,1-2H3
InChIKeyAOBMJJLAPMUEIK-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol 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

2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813261
3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
CID 82829202
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
CID 57327928
3-(1-ethyl-5-methylbenzimidazol-2-yl)pyrazin-2-amine
CID 63262209
2-bromo-1-ethyl-5-methylbenzimidazole
CID 84799459
1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
CID 82382499
2-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813268
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
3-fluoro-2-(3-propylimidazo[4,5-b]pyridin-2-yl)phenol
CID 136789728

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol?
The IUPAC name of 2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol (CID 136678120) is 2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol.
What is the SMILES notation for 2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol?
The canonical SMILES for 2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol is CCn1c(-c2c(O)cccc2F)nc2cc(C)ccc21.
What is the InChIKey of 2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol?
The InChIKey is AOBMJJLAPMUEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-3-19-13-8-7-10(2)9-12(13)18-16(19)15-11(17)5-4-6-14(15)20/h4-9,20H,3H2,1-2H3.
What are the key properties of 2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol?
2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol has a molecular weight of 270.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol is sourced from PubChem (CID 136678120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).