[1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol

C15H20N2O — CID 114204804

IUPAC[1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol
SMILESCC(C)(CCc1ccccc1)n1cnc(CO)c1
InChIInChI=1S/C15H20N2O/c1-15(2,17-10-14(11-18)16-12-17)9-8-13-6-4-3-5-7-13/h3-7,10,12,18H,8-9,11H2,1-2H3
InChIKeyFXAVSHYSPHTUBC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.74
Rot. Bonds5

About [1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol

[1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol (PubChem CID 114204804) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol
PubChem CID114204804
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol
SMILESCC(C)(CCc1ccccc1)n1cnc(CO)c1
InChIInChI=1S/C15H20N2O/c1-15(2,17-10-14(11-18)16-12-17)9-8-13-6-4-3-5-7-13/h3-7,10,12,18H,8-9,11H2,1-2H3
InChIKeyFXAVSHYSPHTUBC-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol?
The IUPAC name of [1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol (CID 114204804) is [1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol.
What is the SMILES notation for [1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol?
The canonical SMILES for [1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol is CC(C)(CCc1ccccc1)n1cnc(CO)c1.
What is the InChIKey of [1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol?
The InChIKey is FXAVSHYSPHTUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,17-10-14(11-18)16-12-17)9-8-13-6-4-3-5-7-13/h3-7,10,12,18H,8-9,11H2,1-2H3.
What are the key properties of [1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol?
[1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol has a molecular weight of 244.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-4-phenylbutan-2-yl)imidazol-4-yl]methanol is sourced from PubChem (CID 114204804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).