1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid

C17H10Cl3FN2O2 — CID 11395463

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CF
InChIInChI=1S/C17H10Cl3FN2O2/c18-9-1-4-11(5-2-9)23-14(8-21)15(17(24)25)22-16(23)12-6-3-10(19)7-13(12)20/h1-7H,8H2,(H,24,25)
InChIKeyYDGKNVORWYVIQK-UHFFFAOYSA-N
MW399.64 g/mol
LogP5.67
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid (PubChem CID 11395463) has the molecular formula C17H10Cl3FN2O2 and a molecular weight of 399.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid
PubChem CID11395463
Molecular FormulaC17H10Cl3FN2O2
Molecular Weight399.64 g/mol
Exact Mass397.98
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CF
InChIInChI=1S/C17H10Cl3FN2O2/c18-9-1-4-11(5-2-9)23-14(8-21)15(17(24)25)22-16(23)12-6-3-10(19)7-13(12)20/h1-7H,8H2,(H,24,25)
InChIKeyYDGKNVORWYVIQK-UHFFFAOYSA-N
XLogP5.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.64
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid (CID 11395463) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CF.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid?
The InChIKey is YDGKNVORWYVIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3FN2O2/c18-9-1-4-11(5-2-9)23-14(8-21)15(17(24)25)22-16(23)12-6-3-10(19)7-13(12)20/h1-7H,8H2,(H,24,25).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid has a molecular weight of 399.64 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 11395463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).