1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol

C16H22N2O — CID 150684067

IUPAC1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol
SMILESCc1cc(C(O)CC(C)(C)C)cc(-n2ccnc2)c1
InChIInChI=1S/C16H22N2O/c1-12-7-13(15(19)10-16(2,3)4)9-14(8-12)18-6-5-17-11-18/h5-9,11,15,19H,10H2,1-4H3
InChIKeyJIMAREFVJNGJSE-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.65
Rot. Bonds3

About 1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol

1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol (PubChem CID 150684067) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol
PubChem CID150684067
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol
SMILESCc1cc(C(O)CC(C)(C)C)cc(-n2ccnc2)c1
InChIInChI=1S/C16H22N2O/c1-12-7-13(15(19)10-16(2,3)4)9-14(8-12)18-6-5-17-11-18/h5-9,11,15,19H,10H2,1-4H3
InChIKeyJIMAREFVJNGJSE-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol (CID 150684067) is 1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol is Cc1cc(C(O)CC(C)(C)C)cc(-n2ccnc2)c1.
What is the InChIKey of 1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol?
The InChIKey is JIMAREFVJNGJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-7-13(15(19)10-16(2,3)4)9-14(8-12)18-6-5-17-11-18/h5-9,11,15,19H,10H2,1-4H3.
What are the key properties of 1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol?
1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 150684067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).