3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole

C25H21N3O — CID 71103113

IUPAC3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1C
InChIInChI=1S/C25H21N3O/c1-16-14-18(12-13-22(16)29-2)24-23(17-8-4-3-5-9-17)27-25(28-24)20-15-26-21-11-7-6-10-19(20)21/h3-15,26H,1-2H3,(H,27,28)
InChIKeyAYZZUXTZTTUBLU-UHFFFAOYSA-N
MW379.46 g/mol
LogP6.21
Rot. Bonds4

About 3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole

3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole (PubChem CID 71103113) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
PubChem CID71103113
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1C
InChIInChI=1S/C25H21N3O/c1-16-14-18(12-13-22(16)29-2)24-23(17-8-4-3-5-9-17)27-25(28-24)20-15-26-21-11-7-6-10-19(20)21/h3-15,26H,1-2H3,(H,27,28)
InChIKeyAYZZUXTZTTUBLU-UHFFFAOYSA-N
XLogP6.21
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 4207500
3-[4-[7-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 135407484
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)-4,5-dimethoxyphenyl]-4,5-diphenyl-1H-imidazole
CID 118411404
2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane
CID 162284056
4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 142907594
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829
2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135537331
2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 136822308
3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139757971
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
CID 1110224
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1036272
2-methoxy-5-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 1326137

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole (CID 71103113) is 3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole is COc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1C.
What is the InChIKey of 3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is AYZZUXTZTTUBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-16-14-18(12-13-22(16)29-2)24-23(17-8-4-3-5-9-17)27-25(28-24)20-15-26-21-11-7-6-10-19(20)21/h3-15,26H,1-2H3,(H,27,28).
What are the key properties of 3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole?
3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 379.46 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 71103113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).