2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid

C19H18ClN3O2 — CID 90407510

IUPAC2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCC(C)(Cn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-19(2,14-5-3-4-6-15(14)20)11-23-10-17(22-12-23)16-9-13(18(24)25)7-8-21-16/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyWJNMKYLJNLYALB-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.27
Rot. Bonds5

About 2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407510) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407510
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCC(C)(Cn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-19(2,14-5-3-4-6-15(14)20)11-23-10-17(22-12-23)16-9-13(18(24)25)7-8-21-16/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyWJNMKYLJNLYALB-UHFFFAOYSA-N
XLogP4.27
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407510) is 2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid is CC(C)(Cn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccccc1Cl.
What is the InChIKey of 2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is WJNMKYLJNLYALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-19(2,14-5-3-4-6-15(14)20)11-23-10-17(22-12-23)16-9-13(18(24)25)7-8-21-16/h3-10,12H,11H2,1-2H3,(H,24,25).
What are the key properties of 2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 355.83 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chlorophenyl)-2-methylpropyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).