4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol

C15H13FN2O2 — CID 136885635

IUPAC4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
SMILESCCn1c(-c2ccc(O)c(O)c2)nc2ccc(F)cc21
InChIInChI=1S/C15H13FN2O2/c1-2-18-12-8-10(16)4-5-11(12)17-15(18)9-3-6-13(19)14(20)7-9/h3-8,19-20H,2H2,1H3
InChIKeyFDHJCYHKWSJOHP-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.27
Rot. Bonds2

About 4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol

4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol (PubChem CID 136885635) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
PubChem CID136885635
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
SMILESCCn1c(-c2ccc(O)c(O)c2)nc2ccc(F)cc21
InChIInChI=1S/C15H13FN2O2/c1-2-18-12-8-10(16)4-5-11(12)17-15(18)9-3-6-13(19)14(20)7-9/h3-8,19-20H,2H2,1H3
InChIKeyFDHJCYHKWSJOHP-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'}

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Related Compounds

4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136928271
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid
CID 62924974
4-(6-chloro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136885662
1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole
CID 138038624
2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872115
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
3-(6-fluoro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928272
[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380869
5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
CID 63743435
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate
CID 79474955

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol (CID 136885635) is 4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol is CCn1c(-c2ccc(O)c(O)c2)nc2ccc(F)cc21.
What is the InChIKey of 4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol?
The InChIKey is FDHJCYHKWSJOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-2-18-12-8-10(16)4-5-11(12)17-15(18)9-3-6-13(19)14(20)7-9/h3-8,19-20H,2H2,1H3.
What are the key properties of 4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol?
4-(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 4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol is sourced from PubChem (CID 136885635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).