2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid

C16H9Cl3N2O2 — CID 11485454

IUPAC2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)15-20-13(16(22)23)8-21(15)14-6-5-11(18)7-12(14)19/h1-8H,(H,22,23)
InChIKeyMFVXCYJFQJHNBS-UHFFFAOYSA-N
MW367.62 g/mol
LogP5.20
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid (PubChem CID 11485454) has the molecular formula C16H9Cl3N2O2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid
PubChem CID11485454
Molecular FormulaC16H9Cl3N2O2
Molecular Weight367.62 g/mol
Exact Mass365.97
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)15-20-13(16(22)23)8-21(15)14-6-5-11(18)7-12(14)19/h1-8H,(H,22,23)
InChIKeyMFVXCYJFQJHNBS-UHFFFAOYSA-N
XLogP5.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)-1H-4-imidazolecarboxylate
CID 11408035
2-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11463590
1-(2,4-Dichloro-phenyl)-2-(4-iodo-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11190972
1-(2,4-Dichloro-phenyl)-2-p-tolyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11337823
3-(4-(4-chlorophenyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)propanoic acid
CID 25163039
2-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid propyl ester
CID 11751392
1-(3-Chloro-phenyl)-2-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11347980
2-(4-Amino-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11188040
2-(4-Chloro-phenyl)-1-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11232659
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide
CID 11235550
2-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid methyl ester
CID 11258836
1-(2,4-Dichloro-phenyl)-2-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11302887

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid (CID 11485454) is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid?
The InChIKey is MFVXCYJFQJHNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)15-20-13(16(22)23)8-21(15)14-6-5-11(18)7-12(14)19/h1-8H,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid?
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid has a molecular weight of 367.62 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 11485454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).