[2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol

C15H19FN2OS — CID 42764227

IUPAC[2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol
SMILESCC(C)Cn1c(CO)cnc1SCc1ccc(F)cc1
InChIInChI=1S/C15H19FN2OS/c1-11(2)8-18-14(9-19)7-17-15(18)20-10-12-3-5-13(16)6-4-12/h3-7,11,19H,8-10H2,1-2H3
InChIKeyUDTPTBPYDJJWIT-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.46
Rot. Bonds6

About [2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol

[2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol (PubChem CID 42764227) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol
PubChem CID42764227
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name[2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol
SMILESCC(C)Cn1c(CO)cnc1SCc1ccc(F)cc1
InChIInChI=1S/C15H19FN2OS/c1-11(2)8-18-14(9-19)7-17-15(18)20-10-12-3-5-13(16)6-4-12/h3-7,11,19H,8-10H2,1-2H3
InChIKeyUDTPTBPYDJJWIT-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-4-ylmethyl)imidazol-4-yl]methanol
CID 42797026
[2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
CID 18589634
[3-[(4-fluorophenyl)methyl]-2-prop-2-ynylsulfanylimidazol-4-yl]methanol
CID 42795554
[2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol
CID 42797001
N-[(4-fluorophenyl)methyl]-2-[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22576217
[2-[(4-chlorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 22576438
methyl 3-[[5-(hydroxymethyl)-1-(2-hydroxypropyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 42796977
2-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 41342372
3-[2-[(4-bromophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile
CID 7348542
N-(4-fluorophenyl)-2-[5-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22576207
[3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576195
[3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
CID 42795353

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol?
The IUPAC name of [2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol (CID 42764227) is [2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol.
What is the SMILES notation for [2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol?
The canonical SMILES for [2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol is CC(C)Cn1c(CO)cnc1SCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol?
The InChIKey is UDTPTBPYDJJWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-11(2)8-18-14(9-19)7-17-15(18)20-10-12-3-5-13(16)6-4-12/h3-7,11,19H,8-10H2,1-2H3.
What are the key properties of [2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol?
[2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol has a molecular weight of 294.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol is sourced from PubChem (CID 42764227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).