1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol

C15H11ClF2N2O — CID 110884989

IUPAC1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol
SMILESOC(Cn1cnc2cc(F)c(F)cc21)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2N2O/c16-10-3-1-9(2-4-10)15(21)7-20-8-19-13-5-11(17)12(18)6-14(13)20/h1-6,8,15,21H,7H2
InChIKeyIBRKZOVRJZHGIW-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.70
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol

1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol (PubChem CID 110884989) has the molecular formula C15H11ClF2N2O and a molecular weight of 308.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol
PubChem CID110884989
Molecular FormulaC15H11ClF2N2O
Molecular Weight308.72 g/mol
Exact Mass308.05
IUPAC Name1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol
SMILESOC(Cn1cnc2cc(F)c(F)cc21)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2N2O/c16-10-3-1-9(2-4-10)15(21)7-20-8-19-13-5-11(17)12(18)6-14(13)20/h1-6,8,15,21H,7H2
InChIKeyIBRKZOVRJZHGIW-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-6,7-difluoroquinazolin-4-one
CID 111336462
(2R)-1-[bis(4-fluorophenyl)methoxy]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol
CID 32550516
4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline
CID 62564267
2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol
CID 110897794
1-[cyclopropyl(methyl)amino]-3-(5,6-difluorobenzimidazol-1-yl)propan-2-ol
CID 154735364
(2S)-1-(5,6-difluorobenzimidazol-1-yl)-3-(2-methylpropoxy)propan-2-ol
CID 129402667
7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one
CID 17407106
1-[(2-chlorophenyl)methyl]-5,6-difluorobenzimidazole
CID 31788167
(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 52538537
3-(5,6-difluorobenzimidazol-1-yl)propan-1-ol
CID 110892023
1-(4-chlorophenyl)-2-[4-[(1S)-1-hydroxyethyl]imidazol-1-yl]ethanol
CID 167863092
3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide
CID 63577776

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol (CID 110884989) is 1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol is OC(Cn1cnc2cc(F)c(F)cc21)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol?
The InChIKey is IBRKZOVRJZHGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O/c16-10-3-1-9(2-4-10)15(21)7-20-8-19-13-5-11(17)12(18)6-14(13)20/h1-6,8,15,21H,7H2.
What are the key properties of 1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol?
1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol has a molecular weight of 308.72 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(5,6-difluorobenzimidazol-1-yl)ethanol is sourced from PubChem (CID 110884989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).