[3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol

C16H19F3N2OS — CID 42795463

IUPAC[3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
SMILESCCCCn1c(CO)cnc1SCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N2OS/c1-2-3-7-21-14(10-22)9-20-15(21)23-11-12-5-4-6-13(8-12)16(17,18)19/h4-6,8-9,22H,2-3,7,10-11H2,1H3
InChIKeySTMPITSLDQZDJW-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.49
Rot. Bonds7

About [3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol

[3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 42795463) has the molecular formula C16H19F3N2OS and a molecular weight of 344.40 g/mol. Its IUPAC name is [3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
PubChem CID42795463
Molecular FormulaC16H19F3N2OS
Molecular Weight344.40 g/mol
Exact Mass344.12
IUPAC Name[3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
SMILESCCCCn1c(CO)cnc1SCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N2OS/c1-2-3-7-21-14(10-22)9-20-15(21)23-11-12-5-4-6-13(8-12)16(17,18)19/h4-6,8-9,22H,2-3,7,10-11H2,1H3
InChIKeySTMPITSLDQZDJW-UHFFFAOYSA-N
XLogP4.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-methylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
CID 42795310
methyl 2-[5-(hydroxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]sulfanylacetate
CID 42795536
[3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
CID 42795353
[3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576195
2-[5-(hydroxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 7218649
3-(4-butoxyphenyl)-4-ethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 19732592
methyl 3-[[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 7115154
(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl-methyl-[[3-(trifluoromethyl)phenyl]methyl]azanium
CID 42595035
3-tert-butyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 35975987
2-[5-(hydroxymethyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylimidazol-1-yl]acetamide
CID 18571160
3-[(3,5-dimethylphenoxy)methyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 21165865
methyl 3-[[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 42795475

Frequently Asked Questions

What is the IUPAC name of [3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol (CID 42795463) is [3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol is CCCCn1c(CO)cnc1SCc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is STMPITSLDQZDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2OS/c1-2-3-7-21-14(10-22)9-20-15(21)23-11-12-5-4-6-13(8-12)16(17,18)19/h4-6,8-9,22H,2-3,7,10-11H2,1H3.
What are the key properties of [3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol?
[3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 344.40 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 42795463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).