3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol

C25H24F2N2O2 — CID 126726491

IUPAC3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(F)(F)CO)cc21
InChIInChI=1S/C25H24F2N2O2/c1-2-29-22-15-18(16-24(26,27)17-30)13-14-21(22)28-23(29)25(31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,30-31H,2,16-17H2,1H3
InChIKeyCEHFPAJFQXJKGG-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.51
Rot. Bonds7

About 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol

3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol (PubChem CID 126726491) has the molecular formula C25H24F2N2O2 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol
PubChem CID126726491
Molecular FormulaC25H24F2N2O2
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(F)(F)CO)cc21
InChIInChI=1S/C25H24F2N2O2/c1-2-29-22-15-18(16-24(26,27)17-30)13-14-21(22)28-23(29)25(31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,30-31H,2,16-17H2,1H3
InChIKeyCEHFPAJFQXJKGG-UHFFFAOYSA-N
XLogP4.51
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Mavatrep
CID 17751090
3'-(5-(1-Hydroxy-1-methylethyl)benzoimidazol-1-yl)biphenyl-2-carbonitrile
CID 16747643
2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 53344884
1-[4-(Dimethylamino)phenyl]-2-(1-methyl-1H-benzimidazol-2-yl)ethanol
CID 589795
1-[1-(2-phenylethyl)-1H-benzimidazol-2-yl]propan-1-ol
CID 23607144
3-(3-Fluoro-phenyl)-3-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-acrylonitrile
CID 2857523
(4-Methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 2881527
1-[1-(3-phenylpropyl)-1H-1,3-benzodiazol-2-yl]ethan-1-ol
CID 3161922
2-(2-Methylbenzimidazol-1-yl)-1-phenylethanol
CID 5200852
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-hydroxymethylbenzimidazole
CID 492681
2-[2-(Benzotriazol-1-ylmethyl)benzimidazol-1-yl]-1-phenyl-ethanol
CID 5272027
1-Ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 11567786

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol (CID 126726491) is 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(F)(F)CO)cc21.
What is the InChIKey of 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol?
The InChIKey is CEHFPAJFQXJKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O2/c1-2-29-22-15-18(16-24(26,27)17-30)13-14-21(22)28-23(29)25(31,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,30-31H,2,16-17H2,1H3.
What are the key properties of 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol?
3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol has a molecular weight of 422.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 126726491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).