5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide

C23H24N6O — CID 167833427

IUPAC5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)NCCc3nnc(-c4ccccc4)n3C)c(C)[nH]2)c1
InChIInChI=1S/C23H24N6O/c1-15-8-7-11-18(14-15)21-25-16(2)20(26-21)23(30)24-13-12-19-27-28-22(29(19)3)17-9-5-4-6-10-17/h4-11,14H,12-13H2,1-3H3,(H,24,30)(H,25,26)
InChIKeyQKUFXKWDAAZWOH-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.46
Rot. Bonds6

About 5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide

5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide (PubChem CID 167833427) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide
PubChem CID167833427
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide
SMILESCc1cccc(-c2nc(C(=O)NCCc3nnc(-c4ccccc4)n3C)c(C)[nH]2)c1
InChIInChI=1S/C23H24N6O/c1-15-8-7-11-18(14-15)21-25-16(2)20(26-21)23(30)24-13-12-19-27-28-22(29(19)3)17-9-5-4-6-10-17/h4-11,14H,12-13H2,1-3H3,(H,24,30)(H,25,26)
InChIKeyQKUFXKWDAAZWOH-UHFFFAOYSA-N
XLogP3.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide 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

N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 146126691
2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 146126693
N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-3-phenylbut-2-enamide
CID 91944345
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 154775706
3-[[5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carbonyl]amino]-4-phenylmethoxybenzoic acid
CID 166392334
2-(3-methylphenyl)-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
CID 70769275
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 135963099
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 31120875
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
2-(3-methylphenyl)-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 70783959
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 56546598
3-[3-(3-methylphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-phenylethyl)propanamide
CID 135868952

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide (CID 167833427) is 5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide is Cc1cccc(-c2nc(C(=O)NCCc3nnc(-c4ccccc4)n3C)c(C)[nH]2)c1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide?
The InChIKey is QKUFXKWDAAZWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-15-8-7-11-18(14-15)21-25-16(2)20(26-21)23(30)24-13-12-19-27-28-22(29(19)3)17-9-5-4-6-10-17/h4-11,14H,12-13H2,1-3H3,(H,24,30)(H,25,26).
What are the key properties of 5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide?
5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 167833427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).