(R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol

C19H20N2O — CID 3246549

IUPAC(R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol
SMILESCc1ccc([C@@H](O)c2cnc(C)n2Cc2ccccc2)cc1
InChIInChI=1S/C19H20N2O/c1-14-8-10-17(11-9-14)19(22)18-12-20-15(2)21(18)13-16-6-4-3-5-7-16/h3-12,19,22H,13H2,1-2H3/t19-/m1/s1
InChIKeyLDUBFHKGOKKYNV-LJQANCHMSA-N
MW292.38 g/mol
LogP3.63
Rot. Bonds4

About (R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol

(R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol (PubChem CID 3246549) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol
PubChem CID3246549
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol
SMILESCc1ccc([C@@H](O)c2cnc(C)n2Cc2ccccc2)cc1
InChIInChI=1S/C19H20N2O/c1-14-8-10-17(11-9-14)19(22)18-12-20-15(2)21(18)13-16-6-4-3-5-7-16/h3-12,19,22H,13H2,1-2H3/t19-/m1/s1
InChIKeyLDUBFHKGOKKYNV-LJQANCHMSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol?
The IUPAC name of (R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol (CID 3246549) is (R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol is Cc1ccc([C@@H](O)c2cnc(C)n2Cc2ccccc2)cc1.
What is the InChIKey of (R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol?
The InChIKey is LDUBFHKGOKKYNV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-8-10-17(11-9-14)19(22)18-12-20-15(2)21(18)13-16-6-4-3-5-7-16/h3-12,19,22H,13H2,1-2H3/t19-/m1/s1.
What are the key properties of (R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol?
(R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol has a molecular weight of 292.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-benzyl-2-methylimidazol-4-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 3246549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).