5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid

C15H16BrClN2O2 — CID 141291650

IUPAC5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid
SMILESCC(C)(C)Cc1nc(C(=O)O)c(Br)n1-c1cccc(Cl)c1
InChIInChI=1S/C15H16BrClN2O2/c1-15(2,3)8-11-18-12(14(20)21)13(16)19(11)10-6-4-5-9(17)7-10/h4-7H,8H2,1-3H3,(H,20,21)
InChIKeyHJLOPXDFPIANSB-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.57
Rot. Bonds3

About 5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid

5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid (PubChem CID 141291650) has the molecular formula C15H16BrClN2O2 and a molecular weight of 371.66 g/mol. Its IUPAC name is 5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid
PubChem CID141291650
Molecular FormulaC15H16BrClN2O2
Molecular Weight371.66 g/mol
Exact Mass370.01
IUPAC Name5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid
SMILESCC(C)(C)Cc1nc(C(=O)O)c(Br)n1-c1cccc(Cl)c1
InChIInChI=1S/C15H16BrClN2O2/c1-15(2,3)8-11-18-12(14(20)21)13(16)19(11)10-6-4-5-9(17)7-10/h4-7H,8H2,1-3H3,(H,20,21)
InChIKeyHJLOPXDFPIANSB-UHFFFAOYSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 55037987
1-(3-chlorophenyl)-3-(2,2-dimethylpropyl)-5-phenylpyrazole-4-carboxylic acid
CID 3767155
ethyl 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylate
CID 67032083
2-[4-(3-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]acetic acid
CID 90370544
6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine
CID 79302168
4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid
CID 96602240
1-(3-chlorophenyl)-7-methylindole-2-carboxylic acid
CID 175724450
2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 82155371
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
1-(3-chlorophenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 54678799
1-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]propan-2-one
CID 82133166
3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249323

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid?
The IUPAC name of 5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid (CID 141291650) is 5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid?
The canonical SMILES for 5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid is CC(C)(C)Cc1nc(C(=O)O)c(Br)n1-c1cccc(Cl)c1.
What is the InChIKey of 5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid?
The InChIKey is HJLOPXDFPIANSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O2/c1-15(2,3)8-11-18-12(14(20)21)13(16)19(11)10-6-4-5-9(17)7-10/h4-7H,8H2,1-3H3,(H,20,21).
What are the key properties of 5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid?
5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid has a molecular weight of 371.66 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 141291650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).