2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole

C37H28N4O — CID 19870296

IUPAC2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole
SMILESCOc1ccccc1-n1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C37H28N4O/c1-42-31-25-15-14-24-30(31)41-35(29-22-12-5-13-23-29)34(28-20-10-4-11-21-28)40-37(41)36-38-32(26-16-6-2-7-17-26)33(39-36)27-18-8-3-9-19-27/h2-25H,1H3,(H,38,39)
InChIKeyDZBSFPLPBIVBAJ-UHFFFAOYSA-N
MW544.66 g/mol
LogP8.94
Rot. Bonds7

About 2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole

2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole (PubChem CID 19870296) has the molecular formula C37H28N4O and a molecular weight of 544.66 g/mol. Its IUPAC name is 2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole
PubChem CID19870296
Molecular FormulaC37H28N4O
Molecular Weight544.66 g/mol
Exact Mass544.23
IUPAC Name2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole
SMILESCOc1ccccc1-n1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C37H28N4O/c1-42-31-25-15-14-24-30(31)41-35(29-22-12-5-13-23-29)34(28-20-10-4-11-21-28)40-37(41)36-38-32(26-16-6-2-7-17-26)33(39-36)27-18-8-3-9-19-27/h2-25H,1H3,(H,38,39)
InChIKeyDZBSFPLPBIVBAJ-UHFFFAOYSA-N
XLogP8.94
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-(2-methoxyphenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]-
CID 2812858
1-(2,3-Dibenzimidazol-2-ylpropyl)-2-methoxybenzene
CID 2907920
2-(2-Methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 74782
2-{(E)-2-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]vinyl}-4-phenyl-1H-imidazole
CID 24852225
2-(4-Methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 788012
2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 3494148
2-[1-(1H-benzimidazol-2-yl)-3-(3-methoxyphenyl)propan-2-yl]-1H-benzimidazole
CID 2837681
(4,5-Diphenyl-1H-imidazol-2-yl)-(2-methoxy-phenyl)-diazene
CID 2859015
2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]methyl]-1H-benzimidazole
CID 17325420
4-[4-[4-(dimethylamino)phenyl]-2-[4-[(E)-3-phenoxyprop-1-enyl]phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline
CID 44321045
1-(2-methoxyphenyl)-3-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]urea
CID 44525384
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-(2-methoxyphenyl)urea
CID 44525386

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole?
The IUPAC name of 2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole (CID 19870296) is 2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole.
What is the SMILES notation for 2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole?
The canonical SMILES for 2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole is COc1ccccc1-n1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole?
The InChIKey is DZBSFPLPBIVBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N4O/c1-42-31-25-15-14-24-30(31)41-35(29-22-12-5-13-23-29)34(28-20-10-4-11-21-28)40-37(41)36-38-32(26-16-6-2-7-17-26)33(39-36)27-18-8-3-9-19-27/h2-25H,1H3,(H,38,39).
What are the key properties of 2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole?
2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole has a molecular weight of 544.66 g/mol, XLogP of 8.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole is sourced from PubChem (CID 19870296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).