(3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol

C14H18N2O — CID 3291165

IUPAC(3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol
SMILESCC(C)c1ncc(C(O)c2ccccc2)n1C
InChIInChI=1S/C14H18N2O/c1-10(2)14-15-9-12(16(14)3)13(17)11-7-5-4-6-8-11/h4-10,13,17H,1-3H3
InChIKeyPBOSUJQHYYRGHM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.63
Rot. Bonds3

About (3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol

(3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol (PubChem CID 3291165) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol
PubChem CID3291165
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol
SMILESCC(C)c1ncc(C(O)c2ccccc2)n1C
InChIInChI=1S/C14H18N2O/c1-10(2)14-15-9-12(16(14)3)13(17)11-7-5-4-6-8-11/h4-10,13,17H,1-3H3
InChIKeyPBOSUJQHYYRGHM-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.63
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-Benzyl-5-hydroxymethyl-1H-imidazole
CID 2773235
(1-Methylimidazol-2-yl)-diphenylmethanol
CID 3113722
(2-Isopropyl-3-methyl-3H-imidazol-4-yl)-(3-methoxy-phenyl)-methanol
CID 3140480
4-[(2-Amino-1-methylimidazol-4-yl)methyl]phenol
CID 10352841
2-(1H-imidazol-1-yl)-1-phenylethanol
CID 32239
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
(2-Methoxyphenyl)(1-methyl-2-propyl-1H-imidazol-5-yl)methanol
CID 2881241
(3-Methoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol
CID 2889570
(1-ethyl-1H-imidazol-2-yl)(naphthalen-1-yl)methanol
CID 3131356
(3-Methyl-2-propylimidazol-4-yl)-naphthalen-1-ylmethanol
CID 619964
(5-chloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 650470

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol?
The IUPAC name of (3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol (CID 3291165) is (3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol.
What is the SMILES notation for (3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol?
The canonical SMILES for (3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol is CC(C)c1ncc(C(O)c2ccccc2)n1C.
What is the InChIKey of (3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol?
The InChIKey is PBOSUJQHYYRGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)14-15-9-12(16(14)3)13(17)11-7-5-4-6-8-11/h4-10,13,17H,1-3H3.
What are the key properties of (3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol?
(3-methyl-2-propan-2-ylimidazol-4-yl)-phenylmethanol has a molecular weight of 230.31 g/mol, XLogP of 2.63, 3 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)-phenylmethanol is sourced from PubChem (CID 3291165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).