1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol

C20H22N2O2 — CID 12043371

IUPAC1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol
SMILESCOc1ccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)cc1
InChIInChI=1S/C20H22N2O2/c1-14(2)20(23,19-12-21-13-22-19)17-8-4-15(5-9-17)16-6-10-18(24-3)11-7-16/h4-14,23H,1-3H3,(H,21,22)
InChIKeyOYDIXDAQFNMWOW-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.98
Rot. Bonds5

About 1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol

1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol (PubChem CID 12043371) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol
PubChem CID12043371
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol
SMILESCOc1ccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)cc1
InChIInChI=1S/C20H22N2O2/c1-14(2)20(23,19-12-21-13-22-19)17-8-4-15(5-9-17)16-6-10-18(24-3)11-7-16/h4-14,23H,1-3H3,(H,21,22)
InChIKeyOYDIXDAQFNMWOW-UHFFFAOYSA-N
XLogP3.98
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol (CID 12043371) is 1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol is COc1ccc(-c2ccc(C(O)(c3cnc[nH]3)C(C)C)cc2)cc1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is OYDIXDAQFNMWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)20(23,19-12-21-13-22-19)17-8-4-15(5-9-17)16-6-10-18(24-3)11-7-16/h4-14,23H,1-3H3,(H,21,22).
What are the key properties of 1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol?
1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 322.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-1-[4-(4-methoxyphenyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 12043371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).