2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole

C31H25N3O — CID 58319591

IUPAC2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESCc1ccc(-c2[nH]c(-c3c(C)[nH]c4ccccc34)nc2-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C31H25N3O/c1-20-12-14-22(15-13-20)29-30(23-16-18-25(19-17-23)35-24-8-4-3-5-9-24)34-31(33-29)28-21(2)32-27-11-7-6-10-26(27)28/h3-19,32H,1-2H3,(H,33,34)
InChIKeyYXJAZXLWJVODAP-UHFFFAOYSA-N
MW455.56 g/mol
LogP8.30
Rot. Bonds5

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

2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 58319591) has the molecular formula C31H25N3O and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
PubChem CID58319591
Molecular FormulaC31H25N3O
Molecular Weight455.56 g/mol
Exact Mass455.20
IUPAC Name2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESCc1ccc(-c2[nH]c(-c3c(C)[nH]c4ccccc34)nc2-c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C31H25N3O/c1-20-12-14-22(15-13-20)29-30(23-16-18-25(19-17-23)35-24-8-4-3-5-9-24)34-31(33-29)28-21(2)32-27-11-7-6-10-26(27)28/h3-19,32H,1-2H3,(H,33,34)
InChIKeyYXJAZXLWJVODAP-UHFFFAOYSA-N
XLogP8.30
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 58.30
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole (CID 58319591) is 2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole is Cc1ccc(-c2[nH]c(-c3c(C)[nH]c4ccccc34)nc2-c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
The InChIKey is YXJAZXLWJVODAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O/c1-20-12-14-22(15-13-20)29-30(23-16-18-25(19-17-23)35-24-8-4-3-5-9-24)34-31(33-29)28-21(2)32-27-11-7-6-10-26(27)28/h3-19,32H,1-2H3,(H,33,34).
What are the key properties of 2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 455.56 g/mol, XLogP of 8.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 58319591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).