1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

C16H14F2N2O — CID 79754597

IUPAC1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCn1c(CC(O)c2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C16H14F2N2O/c1-20-14-5-3-2-4-13(14)19-16(20)9-15(21)10-6-7-11(17)12(18)8-10/h2-8,15,21H,9H2,1H3
InChIKeyBFFWKEDADFHBGA-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.13
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol

1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 79754597) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID79754597
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCn1c(CC(O)c2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C16H14F2N2O/c1-20-14-5-3-2-4-13(14)19-16(20)9-15(21)10-6-7-11(17)12(18)8-10/h2-8,15,21H,9H2,1H3
InChIKeyBFFWKEDADFHBGA-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818511
1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818504
(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
CID 702567
1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79753671
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 82682714
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79756071
1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753862
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 79754597) is 1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is Cn1c(CC(O)c2ccc(F)c(F)c2)nc2ccccc21.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is BFFWKEDADFHBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-20-14-5-3-2-4-13(14)19-16(20)9-15(21)10-6-7-11(17)12(18)8-10/h2-8,15,21H,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 288.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 79754597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).