N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide

C24H17Cl2F2N3O — CID 46103213

IUPACN-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C24H17Cl2F2N3O/c1-14-8-17(25)10-20(26)19(14)11-30-24(32)23-12-29-13-31(23)18-5-2-15(3-6-18)16-4-7-21(27)22(28)9-16/h2-10,12-13H,11H2,1H3,(H,30,32)
InChIKeySHLIODZUIJCHJK-UHFFFAOYSA-N
MW472.32 g/mol
LogP6.36
Rot. Bonds5

About N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide

N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide (PubChem CID 46103213) has the molecular formula C24H17Cl2F2N3O and a molecular weight of 472.32 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide
PubChem CID46103213
Molecular FormulaC24H17Cl2F2N3O
Molecular Weight472.32 g/mol
Exact Mass471.07
IUPAC NameN-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C24H17Cl2F2N3O/c1-14-8-17(25)10-20(26)19(14)11-30-24(32)23-12-29-13-31(23)18-5-2-15(3-6-18)16-4-7-21(27)22(28)9-16/h2-10,12-13H,11H2,1H3,(H,30,32)
InChIKeySHLIODZUIJCHJK-UHFFFAOYSA-N
XLogP6.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.32
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
1-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)-2-(pyridin-3-ylamino)ethanone
CID 46899937
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899941
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899942
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-3-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900108
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-4-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900259
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide
CID 10001816
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-1H-imidazole-4-carboxamide
CID 11247889
N-cyclohexyl-2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1H-imidazole-4-carboxamide
CID 21948995
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-4-carboxamide
CID 23398439
N-(3-chlorophenyl)-N-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]-3-methylimidazole-4-carboxamide
CID 42618068
N-cyclohexyl-2-(2,4-dichlorophenyl)-1-p-tolyl-1H-imidazole-4-carboxamide
CID 44425199

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide (CID 46103213) is N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide is Cc1cc(Cl)cc(Cl)c1CNC(=O)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is SHLIODZUIJCHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F2N3O/c1-14-8-17(25)10-20(26)19(14)11-30-24(32)23-12-29-13-31(23)18-5-2-15(3-6-18)16-4-7-21(27)22(28)9-16/h2-10,12-13H,11H2,1H3,(H,30,32).
What are the key properties of N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide?
N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 472.32 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-methylphenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 46103213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).