2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol

C15H13FN2O2 — CID 136903729

IUPAC2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
SMILESCCn1c(-c2cc(O)ccc2O)nc2cc(F)ccc21
InChIInChI=1S/C15H13FN2O2/c1-2-18-13-5-3-9(16)7-12(13)17-15(18)11-8-10(19)4-6-14(11)20/h3-8,19-20H,2H2,1H3
InChIKeyNPKHOFALXOQERC-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.27
Rot. Bonds2

About 2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol

2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol (PubChem CID 136903729) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
PubChem CID136903729
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
SMILESCCn1c(-c2cc(O)ccc2O)nc2cc(F)ccc21
InChIInChI=1S/C15H13FN2O2/c1-2-18-13-5-3-9(16)7-12(13)17-15(18)11-8-10(19)4-6-14(11)20/h3-8,19-20H,2H2,1H3
InChIKeyNPKHOFALXOQERC-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903731
2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903750
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 106502308
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
CID 60784226
3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 60783425
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136928271
4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 136903734
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136885635
5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 54919875

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol (CID 136903729) is 2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol is CCn1c(-c2cc(O)ccc2O)nc2cc(F)ccc21.
What is the InChIKey of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol?
The InChIKey is NPKHOFALXOQERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-2-18-13-5-3-9(16)7-12(13)17-15(18)11-8-10(19)4-6-14(11)20/h3-8,19-20H,2H2,1H3.
What are the key properties of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol?
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-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 2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol is sourced from PubChem (CID 136903729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).