3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol

C15H13FN2O2 — CID 136928271

IUPAC3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
SMILESCCn1c(-c2cccc(O)c2O)nc2ccc(F)cc21
InChIInChI=1S/C15H13FN2O2/c1-2-18-12-8-9(16)6-7-11(12)17-15(18)10-4-3-5-13(19)14(10)20/h3-8,19-20H,2H2,1H3
InChIKeyRXOLLZPNPGHXST-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.27
Rot. Bonds2

About 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol

3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol (PubChem CID 136928271) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
PubChem CID136928271
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
SMILESCCn1c(-c2cccc(O)c2O)nc2ccc(F)cc21
InChIInChI=1S/C15H13FN2O2/c1-2-18-12-8-9(16)6-7-11(12)17-15(18)10-4-3-5-13(19)14(10)20/h3-8,19-20H,2H2,1H3
InChIKeyRXOLLZPNPGHXST-UHFFFAOYSA-N
XLogP3.27
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol 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

3-(6-fluoro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928272
4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136885635
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid
CID 62924974
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-fluorophenol
CID 136789710
5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol
CID 136968059
2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol
CID 136789674
4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
CID 82829202
3-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928249
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
CID 60784226
[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380869

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol?
The IUPAC name of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol (CID 136928271) is 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol.
What is the SMILES notation for 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol?
The canonical SMILES for 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol is CCn1c(-c2cccc(O)c2O)nc2ccc(F)cc21.
What is the InChIKey of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol?
The InChIKey is RXOLLZPNPGHXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-2-18-12-8-9(16)6-7-11(12)17-15(18)10-4-3-5-13(19)14(10)20/h3-8,19-20H,2H2,1H3.
What are the key properties of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol?
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol has a molecular weight of 272.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol is sourced from PubChem (CID 136928271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).