1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid

C18H15ClFN3O2 — CID 58951575

IUPAC1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid
SMILESCN(Cc1nc(C(=O)O)cn1-c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3O2/c1-22(14-8-4-13(20)5-9-14)11-17-21-16(18(24)25)10-23(17)15-6-2-12(19)3-7-15/h2-10H,11H2,1H3,(H,24,25)
InChIKeyRRVBFGUVGIPWKB-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.00
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid

1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid (PubChem CID 58951575) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid
PubChem CID58951575
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid
SMILESCN(Cc1nc(C(=O)O)cn1-c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3O2/c1-22(14-8-4-13(20)5-9-14)11-17-21-16(18(24)25)10-23(17)15-6-2-12(19)3-7-15/h2-10H,11H2,1H3,(H,24,25)
InChIKeyRRVBFGUVGIPWKB-UHFFFAOYSA-N
XLogP4.00
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid (CID 58951575) is 1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid is CN(Cc1nc(C(=O)O)cn1-c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid?
The InChIKey is RRVBFGUVGIPWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-22(14-8-4-13(20)5-9-14)11-17-21-16(18(24)25)10-23(17)15-6-2-12(19)3-7-15/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of 1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid?
1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid has a molecular weight of 359.79 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4-fluoro-N-methylanilino)methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 58951575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).