2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid

C18H17N3O2 — CID 90457020

IUPAC2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
SMILESCc1ccccc1CCc1ncc(-c2cc(C(=O)O)ccn2)[nH]1
InChIInChI=1S/C18H17N3O2/c1-12-4-2-3-5-13(12)6-7-17-20-11-16(21-17)15-10-14(18(22)23)8-9-19-15/h2-5,8-11H,6-7H2,1H3,(H,20,21)(H,22,23)
InChIKeyUQNSNWBMJRKYDY-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.26
Rot. Bonds5

About 2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid

2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid (PubChem CID 90457020) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
PubChem CID90457020
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
SMILESCc1ccccc1CCc1ncc(-c2cc(C(=O)O)ccn2)[nH]1
InChIInChI=1S/C18H17N3O2/c1-12-4-2-3-5-13(12)6-7-17-20-11-16(21-17)15-10-14(18(22)23)8-9-19-15/h2-5,8-11H,6-7H2,1H3,(H,20,21)(H,22,23)
InChIKeyUQNSNWBMJRKYDY-UHFFFAOYSA-N
XLogP3.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid (CID 90457020) is 2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid is Cc1ccccc1CCc1ncc(-c2cc(C(=O)O)ccn2)[nH]1.
What is the InChIKey of 2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
The InChIKey is UQNSNWBMJRKYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-4-2-3-5-13(12)6-7-17-20-11-16(21-17)15-10-14(18(22)23)8-9-19-15/h2-5,8-11H,6-7H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90457020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).