1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide

C21H19Cl2F2N3O — CID 67031858

IUPAC1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide
SMILESCC(C)(C)Cc1nc(C(N)=O)c(-c2ccc(F)c(Cl)c2)n1-c1cccc(Cl)c1F
InChIInChI=1S/C21H19Cl2F2N3O/c1-21(2,3)10-16-27-18(20(26)29)19(11-7-8-14(24)13(23)9-11)28(16)15-6-4-5-12(22)17(15)25/h4-9H,10H2,1-3H3,(H2,26,29)
InChIKeyYJFJCOFVGNZXKO-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.81
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide

1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide (PubChem CID 67031858) has the molecular formula C21H19Cl2F2N3O and a molecular weight of 438.31 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide
PubChem CID67031858
Molecular FormulaC21H19Cl2F2N3O
Molecular Weight438.31 g/mol
Exact Mass437.09
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide
SMILESCC(C)(C)Cc1nc(C(N)=O)c(-c2ccc(F)c(Cl)c2)n1-c1cccc(Cl)c1F
InChIInChI=1S/C21H19Cl2F2N3O/c1-21(2,3)10-16-27-18(20(26)29)19(11-7-8-14(24)13(23)9-11)28(16)15-6-4-5-12(22)17(15)25/h4-9H,10H2,1-3H3,(H2,26,29)
InChIKeyYJFJCOFVGNZXKO-UHFFFAOYSA-N
XLogP5.81
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylate
CID 67032083
ethyl 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-pyrrolidin-2-ylimidazole-4-carboxylate
CID 67954347
2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide
CID 175273459
1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-N-hydroxyimidazole-4-carboxamide;hydroxylamine;hydrochloride
CID 157419948
1-(6-carbamoyl-3-chloro-2-fluoro-4-methylphenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazole-4-carboxamide
CID 88531092
2-(3-chloro-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 152528464
2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide
CID 174651857
5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid
CID 141291650
5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid
CID 174651933
3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-phenylimidazol-4-yl]-4-methyl-1,5-dihydro-1,2,4-triazole-5-carbothialdehyde
CID 174663372
3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-4-(2H-tetrazol-5-yl)imidazol-2-yl]cyclohexan-1-ol
CID 67032721
5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole
CID 67032499

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide (CID 67031858) is 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide is CC(C)(C)Cc1nc(C(N)=O)c(-c2ccc(F)c(Cl)c2)n1-c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide?
The InChIKey is YJFJCOFVGNZXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2F2N3O/c1-21(2,3)10-16-27-18(20(26)29)19(11-7-8-14(24)13(23)9-11)28(16)15-6-4-5-12(22)17(15)25/h4-9H,10H2,1-3H3,(H2,26,29).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide?
1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide has a molecular weight of 438.31 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide is sourced from PubChem (CID 67031858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).