2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol

C16H15FN2O2 — CID 136903731

IUPAC2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
SMILESCCCn1c(-c2cc(O)ccc2O)nc2cc(F)ccc21
InChIInChI=1S/C16H15FN2O2/c1-2-7-19-14-5-3-10(17)8-13(14)18-16(19)12-9-11(20)4-6-15(12)21/h3-6,8-9,20-21H,2,7H2,1H3
InChIKeyWFTMCCDCVVWGLE-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.66
Rot. Bonds3

About 2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol

2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol (PubChem CID 136903731) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
PubChem CID136903731
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
SMILESCCCn1c(-c2cc(O)ccc2O)nc2cc(F)ccc21
InChIInChI=1S/C16H15FN2O2/c1-2-7-19-14-5-3-10(17)8-13(14)18-16(19)12-9-11(20)4-6-15(12)21/h3-6,8-9,20-21H,2,7H2,1H3
InChIKeyWFTMCCDCVVWGLE-UHFFFAOYSA-N
XLogP3.66
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.66
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-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 106502308
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903750
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
3-(6-fluoro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928272
2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723234
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine
CID 63262376
4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 136903734
ethyl 5-fluoro-1-propylbenzimidazole-2-carboxylate
CID 55189985
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 136789665

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol (CID 136903731) is 2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol is CCCn1c(-c2cc(O)ccc2O)nc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol?
The InChIKey is WFTMCCDCVVWGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-2-7-19-14-5-3-10(17)8-13(14)18-16(19)12-9-11(20)4-6-15(12)21/h3-6,8-9,20-21H,2,7H2,1H3.
What are the key properties of 2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol?
2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol has a molecular weight of 286.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol is sourced from PubChem (CID 136903731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).