2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole

C22H18N2O — CID 788012

IUPAC2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C22H18N2O/c1-25-19-14-12-18(13-15-19)22-23-20(16-8-4-2-5-9-16)21(24-22)17-10-6-3-7-11-17/h2-15H,1H3,(H,23,24)
InChIKeySNFCQJAJPFWBDJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.42
Rot. Bonds4

About 2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole

2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole (PubChem CID 788012) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole
PubChem CID788012
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C22H18N2O/c1-25-19-14-12-18(13-15-19)22-23-20(16-8-4-2-5-9-16)21(24-22)17-10-6-3-7-11-17/h2-15H,1H3,(H,23,24)
InChIKeySNFCQJAJPFWBDJ-UHFFFAOYSA-N
XLogP5.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole (CID 788012) is 2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole is COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is SNFCQJAJPFWBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-19-14-12-18(13-15-19)22-23-20(16-8-4-2-5-9-16)21(24-22)17-10-6-3-7-11-17/h2-15H,1H3,(H,23,24).
What are the key properties of 2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole?
2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole has a molecular weight of 326.40 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 788012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).