1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol

C15H20N2O2 — CID 22763056

IUPAC1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol
SMILESCOc1ccc(CCC(C)(O)Cn2ccnc2)cc1
InChIInChI=1S/C15H20N2O2/c1-15(18,11-17-10-9-16-12-17)8-7-13-3-5-14(19-2)6-4-13/h3-6,9-10,12,18H,7-8,11H2,1-2H3
InChIKeyGQEGIGDWFCEOTB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.28
Rot. Bonds6

About 1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol

1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol (PubChem CID 22763056) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol
PubChem CID22763056
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol
SMILESCOc1ccc(CCC(C)(O)Cn2ccnc2)cc1
InChIInChI=1S/C15H20N2O2/c1-15(18,11-17-10-9-16-12-17)8-7-13-3-5-14(19-2)6-4-13/h3-6,9-10,12,18H,7-8,11H2,1-2H3
InChIKeyGQEGIGDWFCEOTB-UHFFFAOYSA-N
XLogP2.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol
CID 14988709
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)hexan-3-ol
CID 22762796
1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
CID 70550149
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol
CID 22762885
1-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 124609916
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole
CID 70552453
1-[2,2-bis[(4-methoxyphenyl)methylsulfanyl]ethyl]imidazole
CID 13320333
4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylaniline
CID 13457340
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
1-[[2-[3-(4-methoxyphenyl)propyl]-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518795

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol?
The IUPAC name of 1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol (CID 22763056) is 1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol is COc1ccc(CCC(C)(O)Cn2ccnc2)cc1.
What is the InChIKey of 1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol?
The InChIKey is GQEGIGDWFCEOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(18,11-17-10-9-16-12-17)8-7-13-3-5-14(19-2)6-4-13/h3-6,9-10,12,18H,7-8,11H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol?
1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 22763056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).