1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole

C25H24N2O — CID 510050

IUPAC1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
SMILESCOc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C25H24N2O/c1-28-25-13-9-21(10-14-25)18-24(27-16-15-26-19-27)17-20-7-11-23(12-8-20)22-5-3-2-4-6-22/h2-16,19,24H,17-18H2,1H3
InChIKeySDAWROHZJFECJP-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.59
Rot. Bonds7

About 1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole

1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole (PubChem CID 510050) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
PubChem CID510050
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
SMILESCOc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C25H24N2O/c1-28-25-13-9-21(10-14-25)18-24(27-16-15-26-19-27)17-20-7-11-23(12-8-20)22-5-3-2-4-6-22/h2-16,19,24H,17-18H2,1H3
InChIKeySDAWROHZJFECJP-UHFFFAOYSA-N
XLogP5.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The IUPAC name of 1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole (CID 510050) is 1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole is COc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The InChIKey is SDAWROHZJFECJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-28-25-13-9-21(10-14-25)18-24(27-16-15-26-19-27)17-20-7-11-23(12-8-20)22-5-3-2-4-6-22/h2-16,19,24H,17-18H2,1H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole has a molecular weight of 368.48 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole is sourced from PubChem (CID 510050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).