[2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol

C26H24F2N2OS — CID 42797001

IUPAC[2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2cc(F)cc(F)c2)n1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24F2N2OS/c27-22-13-19(14-23(28)15-22)18-32-26-29-16-24(17-31)30(26)12-11-25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,13-16,25,31H,11-12,17-18H2
InChIKeySFHMEUFZRBOISJ-UHFFFAOYSA-N
MW450.55 g/mol
LogP6.17
Rot. Bonds9

About [2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol

[2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol (PubChem CID 42797001) has the molecular formula C26H24F2N2OS and a molecular weight of 450.55 g/mol. Its IUPAC name is [2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol
PubChem CID42797001
Molecular FormulaC26H24F2N2OS
Molecular Weight450.55 g/mol
Exact Mass450.16
IUPAC Name[2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2cc(F)cc(F)c2)n1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24F2N2OS/c27-22-13-19(14-23(28)15-22)18-32-26-29-16-24(17-31)30(26)12-11-25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,13-16,25,31H,11-12,17-18H2
InChIKeySFHMEUFZRBOISJ-UHFFFAOYSA-N
XLogP6.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol
CID 42764227
[3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576301
[2-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-4-ylmethyl)imidazol-4-yl]methanol
CID 42797026
3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile
CID 24715652
N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 18571018
[3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
CID 42795463
[3-(3-methoxypropyl)-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 42795516
[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol
CID 22576278
3-[2-[(4-bromophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile
CID 7348542
methyl 3-[[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 42795475
2-[(3,5-difluorophenyl)methylsulfanyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one
CID 51365359
[2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol
CID 46128397

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol?
The IUPAC name of [2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol (CID 42797001) is [2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol.
What is the SMILES notation for [2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol?
The canonical SMILES for [2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol is OCc1cnc(SCc2cc(F)cc(F)c2)n1CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol?
The InChIKey is SFHMEUFZRBOISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2OS/c27-22-13-19(14-23(28)15-22)18-32-26-29-16-24(17-31)30(26)12-11-25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,13-16,25,31H,11-12,17-18H2.
What are the key properties of [2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol?
[2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol has a molecular weight of 450.55 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol is sourced from PubChem (CID 42797001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).