N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide

C29H30N4O3 — CID 175376734

IUPACN-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c(C)[nH]2)c(C)c1-c1ccccc1C
InChIInChI=1S/C29H30N4O3/c1-17-10-7-8-13-22(17)25-18(2)23(14-15-24(25)36-6)27-30-19(3)26(32-27)28(34)31-21-12-9-11-20(16-21)29(35)33(4)5/h7-16H,1-6H3,(H,30,32)(H,31,34)
InChIKeySQLPDMYCIAFAQP-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.63
Rot. Bonds6

About N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 175376734) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID175376734
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c(C)[nH]2)c(C)c1-c1ccccc1C
InChIInChI=1S/C29H30N4O3/c1-17-10-7-8-13-22(17)25-18(2)23(14-15-24(25)36-6)27-30-19(3)26(32-27)28(34)31-21-12-9-11-20(16-21)29(35)33(4)5/h7-16H,1-6H3,(H,30,32)(H,31,34)
InChIKeySQLPDMYCIAFAQP-UHFFFAOYSA-N
XLogP5.63
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376809
2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-N-[3-(piperazine-1-carbonyl)phenyl]-1H-imidazole-4-carboxamide
CID 175376827
N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)-6-(2-phenylethyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376789
N-[3-(dimethylcarbamoyl)phenyl]-2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525229
3-methoxy-N,N-dimethyl-4-(2-methylphenyl)benzamide
CID 144693423
[4-[[3-(1,1-difluoropropyl)phenyl]carbamoyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methylimidazol-1-yl]methyl dihydrogen phosphate
CID 175376762
3-[[2-(2-methylphenyl)-5-(2-phenylethenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
CID 174445101
3-[[2-(2-methylphenyl)-5-(2-phenylethyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
CID 11505466
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60786152
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
N-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 30379109
N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-3-(3-methyl-2-pyridinyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175202525

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide (CID 175376734) is N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c(C)[nH]2)c(C)c1-c1ccccc1C.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is SQLPDMYCIAFAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-17-10-7-8-13-22(17)25-18(2)23(14-15-24(25)36-6)27-30-19(3)26(32-27)28(34)31-21-12-9-11-20(16-21)29(35)33(4)5/h7-16H,1-6H3,(H,30,32)(H,31,34).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 175376734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).