2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole

C22H18N2O — CID 3494148

IUPAC2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C22H18N2O/c1-25-19-14-8-13-18(15-19)22-23-20(16-9-4-2-5-10-16)21(24-22)17-11-6-3-7-12-17/h2-15H,1H3,(H,23,24)
InChIKeyTYLAVIXBTRSOMX-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.42
Rot. Bonds4

About 2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole

2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole (PubChem CID 3494148) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole
PubChem CID3494148
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C22H18N2O/c1-25-19-14-8-13-18(15-19)22-23-20(16-9-4-2-5-10-16)21(24-22)17-11-6-3-7-12-17/h2-15H,1H3,(H,23,24)
InChIKeyTYLAVIXBTRSOMX-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-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole (CID 3494148) is 2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole is COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole?
The InChIKey is TYLAVIXBTRSOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-19-14-8-13-18(15-19)22-23-20(16-9-4-2-5-10-16)21(24-22)17-11-6-3-7-12-17/h2-15H,1H3,(H,23,24).
What are the key properties of 2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole?
2-(3-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-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 3494148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).