3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol

C24H30N2OS — CID 20573264

IUPAC3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol
SMILESCC(C)CCSc1ccc(C(c2ccccc2)C(C)(O)Cn2ccnc2)cc1
InChIInChI=1S/C24H30N2OS/c1-19(2)13-16-28-22-11-9-21(10-12-22)23(20-7-5-4-6-8-20)24(3,27)17-26-15-14-25-18-26/h4-12,14-15,18-19,23,27H,13,16-17H2,1-3H3
InChIKeyBGGSIJBPZHTJMQ-UHFFFAOYSA-N
MW394.58 g/mol
LogP5.60
Rot. Bonds9

About 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol

3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol (PubChem CID 20573264) has the molecular formula C24H30N2OS and a molecular weight of 394.58 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol
PubChem CID20573264
Molecular FormulaC24H30N2OS
Molecular Weight394.58 g/mol
Exact Mass394.21
IUPAC Name3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol
SMILESCC(C)CCSc1ccc(C(c2ccccc2)C(C)(O)Cn2ccnc2)cc1
InChIInChI=1S/C24H30N2OS/c1-19(2)13-16-28-22-11-9-21(10-12-22)23(20-7-5-4-6-8-20)24(3,27)17-26-15-14-25-18-26/h4-12,14-15,18-19,23,27H,13,16-17H2,1-3H3
InChIKeyBGGSIJBPZHTJMQ-UHFFFAOYSA-N
XLogP5.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.58
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol
CID 20573712
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol
CID 70577720
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol
CID 20572805
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494
2-imidazol-1-yl-1-(4-methylphenyl)-1-phenylethanol
CID 15085528
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
3-imidazol-1-yl-2-phenylpropan-1-amine
CID 64538242
1-[3-(4-tert-butylphenyl)sulfanyl-2-chloropropyl]imidazole
CID 23311306
(2-imidazol-1-yl-1-phenylethyl) acetate
CID 3242727

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol?
The IUPAC name of 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol (CID 20573264) is 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol.
What is the SMILES notation for 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol?
The canonical SMILES for 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol is CC(C)CCSc1ccc(C(c2ccccc2)C(C)(O)Cn2ccnc2)cc1.
What is the InChIKey of 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol?
The InChIKey is BGGSIJBPZHTJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2OS/c1-19(2)13-16-28-22-11-9-21(10-12-22)23(20-7-5-4-6-8-20)24(3,27)17-26-15-14-25-18-26/h4-12,14-15,18-19,23,27H,13,16-17H2,1-3H3.
What are the key properties of 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol?
3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol has a molecular weight of 394.58 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol is sourced from PubChem (CID 20573264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).