1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol

C14H18N2O — CID 22762802

IUPAC1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
SMILESCC(O)(CCc1ccccc1)Cn1ccnc1
InChIInChI=1S/C14H18N2O/c1-14(17,11-16-10-9-15-12-16)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,17H,7-8,11H2,1H3
InChIKeyONXIZNBHQSIVIB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.27
Rot. Bonds5

About 1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol

1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol (PubChem CID 22762802) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
PubChem CID22762802
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
SMILESCC(O)(CCc1ccccc1)Cn1ccnc1
InChIInChI=1S/C14H18N2O/c1-14(17,11-16-10-9-15-12-16)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,17H,7-8,11H2,1H3
InChIKeyONXIZNBHQSIVIB-UHFFFAOYSA-N
XLogP2.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol
CID 22763056
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole
CID 70550713
1-imidazol-1-yl-5-phenylpentan-3-ol
CID 21415241
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)hexan-3-ol
CID 22762796
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
2-imidazol-1-yl-1-(4-methylphenyl)-1-phenylethanol
CID 15085528
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
1-(8-phenyloctyl)imidazole
CID 102394184
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol
CID 22762885
1-imidazol-1-yl-4-phenylbutan-2-one
CID 12816466

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol?
The IUPAC name of 1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol (CID 22762802) is 1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol is CC(O)(CCc1ccccc1)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol?
The InChIKey is ONXIZNBHQSIVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(17,11-16-10-9-15-12-16)8-7-13-5-3-2-4-6-13/h2-6,9-10,12,17H,7-8,11H2,1H3.
What are the key properties of 1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol?
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol is sourced from PubChem (CID 22762802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).