2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide

C27H26N4O3 — CID 167525301

IUPAC2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2c(C)nc(-c3cccc(-c4c(C)cccc4C)c3)n2O)c1
InChIInChI=1S/C27H26N4O3/c1-16-8-5-9-17(2)23(16)19-10-6-11-20(14-19)25-29-18(3)24(31(25)34)27(33)30-22-13-7-12-21(15-22)26(32)28-4/h5-15,34H,1-4H3,(H,28,32)(H,30,33)
InChIKeyWQWKJBSAKBSQAC-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.99
Rot. Bonds5

About 2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide

2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide (PubChem CID 167525301) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide
PubChem CID167525301
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2c(C)nc(-c3cccc(-c4c(C)cccc4C)c3)n2O)c1
InChIInChI=1S/C27H26N4O3/c1-16-8-5-9-17(2)23(16)19-10-6-11-20(14-19)25-29-18(3)24(31(25)34)27(33)30-22-13-7-12-21(15-22)26(32)28-4/h5-15,34H,1-4H3,(H,28,32)(H,30,33)
InChIKeyWQWKJBSAKBSQAC-UHFFFAOYSA-N
XLogP4.99
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525229
2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide
CID 167525287
3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
CID 69438870
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525239
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246
2-(2,4-dimethylphenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
CID 46806969
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-[[2-[4-(2,6-dimethylanilino)-4-oxobutyl]sulfanylacetyl]amino]-N-methylbenzamide
CID 18289045

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide (CID 167525301) is 2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide is CNC(=O)c1cccc(NC(=O)c2c(C)nc(-c3cccc(-c4c(C)cccc4C)c3)n2O)c1.
What is the InChIKey of 2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide?
The InChIKey is WQWKJBSAKBSQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-16-8-5-9-17(2)23(16)19-10-6-11-20(14-19)25-29-18(3)24(31(25)34)27(33)30-22-13-7-12-21(15-22)26(32)28-4/h5-15,34H,1-4H3,(H,28,32)(H,30,33).
What are the key properties of 2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide?
2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 167525301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).