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

C25H21N3 — CID 142907594

IUPAC4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESCc1ccc(-c2[nH]c(-c3c[nH]c4cccc(C)c34)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H21N3/c1-16-11-13-19(14-12-16)24-23(18-8-4-3-5-9-18)27-25(28-24)20-15-26-21-10-6-7-17(2)22(20)21/h3-15,26H,1-2H3,(H,27,28)
InChIKeySGKGMCCUOFCVPC-UHFFFAOYSA-N
MW363.46 g/mol
LogP6.51
Rot. Bonds3

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

4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (PubChem CID 142907594) has the molecular formula C25H21N3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
PubChem CID142907594
Molecular FormulaC25H21N3
Molecular Weight363.46 g/mol
Exact Mass363.17
IUPAC Name4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESCc1ccc(-c2[nH]c(-c3c[nH]c4cccc(C)c34)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H21N3/c1-16-11-13-19(14-12-16)24-23(18-8-4-3-5-9-18)27-25(28-24)20-15-26-21-10-6-7-17(2)22(20)21/h3-15,26H,1-2H3,(H,27,28)
InChIKeySGKGMCCUOFCVPC-UHFFFAOYSA-N
XLogP6.51
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103113
3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 4207500
5-(4-bromophenyl)-2-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 3106859
5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103102
2-(8-methylnaphthalen-2-yl)-4,5-diphenyl-1H-imidazole
CID 139797871
5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole
CID 163720949
2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 158996329
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
4,5-bis(4-methylphenyl)-2-phenanthren-9-yl-1H-imidazole
CID 71415012
5-bromo-3-[5-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-imidazol-2-yl]-1H-indole
CID 58319592
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (CID 142907594) is 4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is Cc1ccc(-c2[nH]c(-c3c[nH]c4cccc(C)c34)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is SGKGMCCUOFCVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3/c1-16-11-13-19(14-12-16)24-23(18-8-4-3-5-9-18)27-25(28-24)20-15-26-21-10-6-7-17(2)22(20)21/h3-15,26H,1-2H3,(H,27,28).
What are the key properties of 4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 363.46 g/mol, XLogP of 6.51, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[5-(4-methylphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 142907594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).