(4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol

C21H24N2O — CID 3932949

IUPAC(4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol
SMILESCCCc1ncc(C(O)(c2ccccc2)c2ccc(C)cc2)n1C
InChIInChI=1S/C21H24N2O/c1-4-8-20-22-15-19(23(20)3)21(24,17-9-6-5-7-10-17)18-13-11-16(2)12-14-18/h5-7,9-15,24H,4,8H2,1-3H3
InChIKeyHJNXALNUPFFVRE-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.97
Rot. Bonds5

About (4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol

(4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol (PubChem CID 3932949) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol
PubChem CID3932949
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol
SMILESCCCc1ncc(C(O)(c2ccccc2)c2ccc(C)cc2)n1C
InChIInChI=1S/C21H24N2O/c1-4-8-20-22-15-19(23(20)3)21(24,17-9-6-5-7-10-17)18-13-11-16(2)12-14-18/h5-7,9-15,24H,4,8H2,1-3H3
InChIKeyHJNXALNUPFFVRE-UHFFFAOYSA-N
XLogP3.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol?
The IUPAC name of (4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol (CID 3932949) is (4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol.
What is the SMILES notation for (4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol?
The canonical SMILES for (4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol is CCCc1ncc(C(O)(c2ccccc2)c2ccc(C)cc2)n1C.
What is the InChIKey of (4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol?
The InChIKey is HJNXALNUPFFVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-4-8-20-22-15-19(23(20)3)21(24,17-9-6-5-7-10-17)18-13-11-16(2)12-14-18/h5-7,9-15,24H,4,8H2,1-3H3.
What are the key properties of (4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol?
(4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol has a molecular weight of 320.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(3-methyl-2-propylimidazol-4-yl)-phenylmethanol is sourced from PubChem (CID 3932949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).