1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol

C14H18N2O — CID 178019209

IUPAC1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
SMILESCC(C)C(O)(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-12(2)14(17,10-16-9-8-15-11-16)13-6-4-3-5-7-13/h3-9,11-12,17H,10H2,1-2H3
InChIKeyICIVAMFKGDMIIH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.43
Rot. Bonds4

About 1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol

1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol (PubChem CID 178019209) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
PubChem CID178019209
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
SMILESCC(C)C(O)(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-12(2)14(17,10-16-9-8-15-11-16)13-6-4-3-5-7-13/h3-9,11-12,17H,10H2,1-2H3
InChIKeyICIVAMFKGDMIIH-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-triphenylethyl)imidazole
CID 53325760
2-imidazol-1-yl-1-(4-methylphenyl)-1-phenylethanol
CID 15085528
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
2-imidazol-1-yl-1-phenyl-1-(4-phenylphenyl)ethanol
CID 13013640
1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol
CID 20573712
2-(4-chlorophenyl)-1-imidazol-1-yl-3-methylpentan-2-ol;hydrochloride
CID 70462522
1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol
CID 167979498
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol
CID 20573264
(2S)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-3-ylpentan-2-ol
CID 27876388
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
1-[5-[6-[1-(4-fluorophenyl)-1-hydroxy-2-imidazol-1-ylethyl]-3-pyridinyl]-2-pyridinyl]-2-imidazol-1-yl-1-phenylethanol
CID 178019194

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol?
The IUPAC name of 1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol (CID 178019209) is 1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol is CC(C)C(O)(Cn1ccnc1)c1ccccc1.
What is the InChIKey of 1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol?
The InChIKey is ICIVAMFKGDMIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-12(2)14(17,10-16-9-8-15-11-16)13-6-4-3-5-7-13/h3-9,11-12,17H,10H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol?
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol is sourced from PubChem (CID 178019209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).