1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole

C28H21IN2 — CID 139218774

IUPAC1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole
SMILESIc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C28H21IN2/c29-25-18-16-24(17-19-25)28-30-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)31(28)20-21-10-4-1-5-11-21/h1-19H,20H2
InChIKeyOVJORRPKXARCMS-UHFFFAOYSA-N
MW512.39 g/mol
LogP7.54
Rot. Bonds5

About 1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole

1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole (PubChem CID 139218774) has the molecular formula C28H21IN2 and a molecular weight of 512.39 g/mol. Its IUPAC name is 1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole.

Molecular Properties

Compound Name1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole
PubChem CID139218774
Molecular FormulaC28H21IN2
Molecular Weight512.39 g/mol
Exact Mass512.07
IUPAC Name1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole
SMILESIc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1
InChIInChI=1S/C28H21IN2/c29-25-18-16-24(17-19-25)28-30-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)31(28)20-21-10-4-1-5-11-21/h1-19H,20H2
InChIKeyOVJORRPKXARCMS-UHFFFAOYSA-N
XLogP7.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.39
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
CID 11014921
1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole
CID 134953177
1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
CID 102274301
N,1-dibenzyl-4,5-diphenylimidazol-2-amine
CID 66561407
2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 11825610
2,5-bis(4-chlorophenyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 3732902
1-benzyl-2,4,5-tris[3,5-bis(trifluoromethyl)phenyl]imidazole
CID 138757291
N-[(dimethylamino)methyl]-2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]benzenesulfonamide
CID 70146598
N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide
CID 70144596
2-phenyl-5-[[2,4,5-tris(4-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 174813442
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
[1-[4,5-diphenyl-1-(pyridin-4-ylmethyl)imidazol-2-yl]naphthalen-2-yl]-methyl-phenylphosphane
CID 122452508

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole?
The IUPAC name of 1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole (CID 139218774) is 1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole.
What is the SMILES notation for 1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole?
The canonical SMILES for 1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole is Ic1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole?
The InChIKey is OVJORRPKXARCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21IN2/c29-25-18-16-24(17-19-25)28-30-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)31(28)20-21-10-4-1-5-11-21/h1-19H,20H2.
What are the key properties of 1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole?
1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole has a molecular weight of 512.39 g/mol, XLogP of 7.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole is sourced from PubChem (CID 139218774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).