(3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol

C17H24N2O — CID 2891022

IUPAC(3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2cnc(C(C)C)n2C)cc1
InChIInChI=1S/C17H24N2O/c1-11(2)13-6-8-14(9-7-13)16(20)15-10-18-17(12(3)4)19(15)5/h6-12,16,20H,1-5H3
InChIKeyQIBIUBZZLZHBID-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.75
Rot. Bonds4

About (3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol

(3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol (PubChem CID 2891022) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol
PubChem CID2891022
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2cnc(C(C)C)n2C)cc1
InChIInChI=1S/C17H24N2O/c1-11(2)13-6-8-14(9-7-13)16(20)15-10-18-17(12(3)4)19(15)5/h6-12,16,20H,1-5H3
InChIKeyQIBIUBZZLZHBID-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-(4-(2-Phenylethyl)phenyl)-1H-imidazole-1-ethanol
CID 53626
(1-Methylimidazol-2-yl)-diphenylmethanol
CID 3113722
(2-Isopropyl-3-methyl-3H-imidazol-4-yl)-(3-methoxy-phenyl)-methanol
CID 3140480
2-(1H-imidazol-1-yl)-1-phenylethanol
CID 32239
Denzimol hydrochloride
CID 53625
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
4-[(4-Cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)benzonitrile
CID 44274783
(1-ethyl-1H-imidazol-2-yl)(naphthalen-1-yl)methanol
CID 3131356
1-(4-methylphenyl)-1-phenyl-2-[1-(1-propenyl)-1H-imidazol-2-yl]ethanol
CID 6270550
(3-Methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol
CID 619964
(5-chloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 650470
(1-benzyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2870369

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol (CID 2891022) is (3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)c2cnc(C(C)C)n2C)cc1.
What is the InChIKey of (3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is QIBIUBZZLZHBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11(2)13-6-8-14(9-7-13)16(20)15-10-18-17(12(3)4)19(15)5/h6-12,16,20H,1-5H3.
What are the key properties of (3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol?
(3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 272.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-propan-2-ylimidazol-4-yl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 2891022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).