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

C26H24BrN3O2 — CID 175376809

IUPACN-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cccc(Br)c3)c(C)[nH]2)c(C)c1-c1ccccc1C
InChIInChI=1S/C26H24BrN3O2/c1-15-8-5-6-11-20(15)23-16(2)21(12-13-22(23)32-4)25-28-17(3)24(30-25)26(31)29-19-10-7-9-18(27)14-19/h5-14H,1-4H3,(H,28,30)(H,29,31)
InChIKeyJMVVAOHWFLVSCP-UHFFFAOYSA-N
MW490.40 g/mol
LogP6.69
Rot. Bonds5

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

N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 175376809) has the molecular formula C26H24BrN3O2 and a molecular weight of 490.40 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID175376809
Molecular FormulaC26H24BrN3O2
Molecular Weight490.40 g/mol
Exact Mass489.11
IUPAC NameN-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3cccc(Br)c3)c(C)[nH]2)c(C)c1-c1ccccc1C
InChIInChI=1S/C26H24BrN3O2/c1-15-8-5-6-11-20(15)23-16(2)21(12-13-22(23)32-4)25-28-17(3)24(30-25)26(31)29-19-10-7-9-18(27)14-19/h5-14H,1-4H3,(H,28,30)(H,29,31)
InChIKeyJMVVAOHWFLVSCP-UHFFFAOYSA-N
XLogP6.69
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.40
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376734
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
[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
N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide
CID 110425977
N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-3-(3-methyl-2-pyridinyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175202525
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445134
N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831968
3-[[2-(2-methylphenyl)-5-(2-phenylethenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid
CID 174445101
2-[6-chloro-4-fluoro-2-methyl-3-(2-methylphenyl)phenyl]-N-[3-[cyclopropyl(difluoro)methyl]phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376788
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide (CID 175376809) is N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3cccc(Br)c3)c(C)[nH]2)c(C)c1-c1ccccc1C.
What is the InChIKey of N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is JMVVAOHWFLVSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN3O2/c1-15-8-5-6-11-20(15)23-16(2)21(12-13-22(23)32-4)25-28-17(3)24(30-25)26(31)29-19-10-7-9-18(27)14-19/h5-14H,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide?
N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 490.40 g/mol, XLogP of 6.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[4-methoxy-2-methyl-3-(2-methylphenyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 175376809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).