2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

C18H17N3O3 — CID 86269288

IUPAC2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCOc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C18H17N3O3/c1-24-17-5-3-2-4-13(17)7-9-21-11-16(20-12-21)15-10-14(18(22)23)6-8-19-15/h2-6,8,10-12H,7,9H2,1H3,(H,22,23)
InChIKeyWIFDYYDCPDNMJO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.89
Rot. Bonds6

About 2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 86269288) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID86269288
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCOc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C18H17N3O3/c1-24-17-5-3-2-4-13(17)7-9-21-11-16(20-12-21)15-10-14(18(22)23)6-8-19-15/h2-6,8,10-12H,7,9H2,1H3,(H,22,23)
InChIKeyWIFDYYDCPDNMJO-UHFFFAOYSA-N
XLogP2.89
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 86269288) is 2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is COc1ccccc1CCn1cnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is WIFDYYDCPDNMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-17-5-3-2-4-13(17)7-9-21-11-16(20-12-21)15-10-14(18(22)23)6-8-19-15/h2-6,8,10-12H,7,9H2,1H3,(H,22,23).
What are the key properties of 2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86269288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).