[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone

C29H22N2O — CID 2259189

IUPAC[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone
SMILESCc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccccc4)cc3)[nH]2)cc1
InChIInChI=1S/C29H22N2O/c1-20-12-14-25(15-13-20)29-30-26(21-8-4-2-5-9-21)27(31-29)22-16-18-24(19-17-22)28(32)23-10-6-3-7-11-23/h2-19H,1H3,(H,30,31)
InChIKeyWPUZHDVKGKWGEO-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.95
Rot. Bonds5

About [4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone

[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone (PubChem CID 2259189) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is [4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone
PubChem CID2259189
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone
SMILESCc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccccc4)cc3)[nH]2)cc1
InChIInChI=1S/C29H22N2O/c1-20-12-14-25(15-13-20)29-30-26(21-8-4-2-5-9-21)27(31-29)22-16-18-24(19-17-22)28(32)23-10-6-3-7-11-23/h2-19H,1H3,(H,30,31)
InChIKeyWPUZHDVKGKWGEO-UHFFFAOYSA-N
XLogP6.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.95
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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Related Compounds

[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135438613
4-[4-[4-[4-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]benzoyl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 135533952
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-bromophenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495717
bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106846
(4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone
CID 22310518
bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106847
5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 3106859
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone
CID 2208629
4-[4-[3-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 3123820

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone?
The IUPAC name of [4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone (CID 2259189) is [4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone is Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccccc4)cc3)[nH]2)cc1.
What is the InChIKey of [4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone?
The InChIKey is WPUZHDVKGKWGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c1-20-12-14-25(15-13-20)29-30-26(21-8-4-2-5-9-21)27(31-29)22-16-18-24(19-17-22)28(32)23-10-6-3-7-11-23/h2-19H,1H3,(H,30,31).
What are the key properties of [4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone?
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone has a molecular weight of 414.51 g/mol, XLogP of 6.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 2259189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).