2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid

C19H19N3O2 — CID 90407229

IUPAC2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCC(C)C(c1ccccc1)n1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C19H19N3O2/c1-13(2)18(14-6-4-3-5-7-14)22-11-17(21-12-22)16-10-15(19(23)24)8-9-20-16/h3-13,18H,1-2H3,(H,23,24)
InChIKeyVJLABPNSGBCXOH-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.89
Rot. Bonds5

About 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407229) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407229
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCC(C)C(c1ccccc1)n1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C19H19N3O2/c1-13(2)18(14-6-4-3-5-7-14)22-11-17(21-12-22)16-10-15(19(23)24)8-9-20-16/h3-13,18H,1-2H3,(H,23,24)
InChIKeyVJLABPNSGBCXOH-UHFFFAOYSA-N
XLogP3.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407229) is 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid is CC(C)C(c1ccccc1)n1cnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is VJLABPNSGBCXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(2)18(14-6-4-3-5-7-14)22-11-17(21-12-22)16-10-15(19(23)24)8-9-20-16/h3-13,18H,1-2H3,(H,23,24).
What are the key properties of 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-1-phenylpropyl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).