2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid

C21H17N3O2 — CID 90408184

IUPAC2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCc3cccc4ccccc34)cn2)c1
InChIInChI=1S/C21H17N3O2/c25-21(26)17-8-10-22-19(12-17)20-13-24(14-23-20)11-9-16-6-3-5-15-4-1-2-7-18(15)16/h1-8,10,12-14H,9,11H2,(H,25,26)
InChIKeyHJHPUQDFLVHFFZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.04
Rot. Bonds5

About 2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90408184) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90408184
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCc3cccc4ccccc34)cn2)c1
InChIInChI=1S/C21H17N3O2/c25-21(26)17-8-10-22-19(12-17)20-13-24(14-23-20)11-9-16-6-3-5-15-4-1-2-7-18(15)16/h1-8,10,12-14H,9,11H2,(H,25,26)
InChIKeyHJHPUQDFLVHFFZ-UHFFFAOYSA-N
XLogP4.04
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 90408184) is 2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(CCc3cccc4ccccc34)cn2)c1.
What is the InChIKey of 2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is HJHPUQDFLVHFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-21(26)17-8-10-22-19(12-17)20-13-24(14-23-20)11-9-16-6-3-5-15-4-1-2-7-18(15)16/h1-8,10,12-14H,9,11H2,(H,25,26).
What are the key properties of 2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 343.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90408184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).