(1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol

C16H14F2N2O — CID 125154602

IUPAC(1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol
SMILESCC(F)(F)[C@](O)(c1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C16H14F2N2O/c1-15(17,18)16(21,12-7-3-2-4-8-12)20-11-19-13-9-5-6-10-14(13)20/h2-11,21H,1H3/t16-/m1/s1
InChIKeyCCLKUFXPUFPHIY-MRXNPFEDSA-N
MW288.30 g/mol
LogP3.38
Rot. Bonds3

About (1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol

(1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol (PubChem CID 125154602) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is (1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol
PubChem CID125154602
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol
SMILESCC(F)(F)[C@](O)(c1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C16H14F2N2O/c1-15(17,18)16(21,12-7-3-2-4-8-12)20-11-19-13-9-5-6-10-14(13)20/h2-11,21H,1H3/t16-/m1/s1
InChIKeyCCLKUFXPUFPHIY-MRXNPFEDSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 82235137
2,2-dimethylpropane;1-methylbenzimidazole
CID 167554382
(E)-3-(benzimidazol-1-yl)-4-hydroxy-4-methylpent-2-enenitrile
CID 6516059
5-(benzimidazol-1-yl)-2,2,3,3,4,4-hexafluoro-5-oxopentanoic acid
CID 164747509
1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazole
CID 58978587
5,6-dimethyl-1-tritylbenzimidazole
CID 68814064
1-hydroxybenzimidazole;hydrate
CID 22048229
CID 172839062
CID 172839062
2-[4-[2-(benzimidazol-1-yl)-3-[4-[difluoro(phosphono)methyl]phenyl]-2-phenylpropyl]phenoxy]-2,2-difluoroacetic acid
CID 59932177
1-(benzimidazol-1-yl)-3-phenylpropan-1-one
CID 4630006
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 18957886
(2S)-N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-hydroxy-2-phenylpropanamide
CID 95191566

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol?
The IUPAC name of (1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol (CID 125154602) is (1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol is CC(F)(F)[C@](O)(c1ccccc1)n1cnc2ccccc21.
What is the InChIKey of (1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol?
The InChIKey is CCLKUFXPUFPHIY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-15(17,18)16(21,12-7-3-2-4-8-12)20-11-19-13-9-5-6-10-14(13)20/h2-11,21H,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol?
(1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol has a molecular weight of 288.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol is sourced from PubChem (CID 125154602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).