3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole

C34H27N7 — CID 177465805

IUPAC3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1n[nH]c(-n2c(C)nc(-c3ccccc3)c2-c2ccccc2)n1
InChIInChI=1S/C34H27N7/c1-23-35-29(25-15-7-3-8-16-25)31(27-19-11-5-12-20-27)40(23)33-37-34(39-38-33)41-24(2)36-30(26-17-9-4-10-18-26)32(41)28-21-13-6-14-22-28/h3-22H,1-2H3,(H,37,38,39)
InChIKeyJQTFPNITHVYACN-UHFFFAOYSA-N
MW533.64 g/mol
LogP7.46
Rot. Bonds6

About 3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole

3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole (PubChem CID 177465805) has the molecular formula C34H27N7 and a molecular weight of 533.64 g/mol. Its IUPAC name is 3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole
PubChem CID177465805
Molecular FormulaC34H27N7
Molecular Weight533.64 g/mol
Exact Mass533.23
IUPAC Name3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1n[nH]c(-n2c(C)nc(-c3ccccc3)c2-c2ccccc2)n1
InChIInChI=1S/C34H27N7/c1-23-35-29(25-15-7-3-8-16-25)31(27-19-11-5-12-20-27)40(23)33-37-34(39-38-33)41-24(2)36-30(26-17-9-4-10-18-26)32(41)28-21-13-6-14-22-28/h3-22H,1-2H3,(H,37,38,39)
InChIKeyJQTFPNITHVYACN-UHFFFAOYSA-N
XLogP7.46
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.64
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-2-methyl-4,5-diphenylimidazole
CID 19902800
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
1-tert-butyl-2,4,5-triphenylimidazole
CID 142519119
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine
CID 122382361
9-(4-phenylphenyl)-3,6-bis(1,4,5-triphenylimidazol-2-yl)carbazole
CID 141396920
2-chloro-5-methyl-3-phenylquinoxaline
CID 86730310
1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole
CID 155174914
7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one
CID 20586116
3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine
CID 53275781
5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid
CID 18537524

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole?
The IUPAC name of 3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole (CID 177465805) is 3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole?
The canonical SMILES for 3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole is Cc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1n[nH]c(-n2c(C)nc(-c3ccccc3)c2-c2ccccc2)n1.
What is the InChIKey of 3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole?
The InChIKey is JQTFPNITHVYACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N7/c1-23-35-29(25-15-7-3-8-16-25)31(27-19-11-5-12-20-27)40(23)33-37-34(39-38-33)41-24(2)36-30(26-17-9-4-10-18-26)32(41)28-21-13-6-14-22-28/h3-22H,1-2H3,(H,37,38,39).
What are the key properties of 3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole?
3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole has a molecular weight of 533.64 g/mol, XLogP of 7.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 177465805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).