2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

C18H17ClN4O2 — CID 86269079

IUPAC2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O2/c1-22(15-4-2-14(19)3-5-15)8-9-23-11-17(21-12-23)16-10-13(18(24)25)6-7-20-16/h2-7,10-12H,8-9H2,1H3,(H,24,25)
InChIKeyLYECZDRRRZNARD-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.43
Rot. Bonds6

About 2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 86269079) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID86269079
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O2/c1-22(15-4-2-14(19)3-5-15)8-9-23-11-17(21-12-23)16-10-13(18(24)25)6-7-20-16/h2-7,10-12H,8-9H2,1H3,(H,24,25)
InChIKeyLYECZDRRRZNARD-UHFFFAOYSA-N
XLogP3.43
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 86269079) is 2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is LYECZDRRRZNARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-22(15-4-2-14(19)3-5-15)8-9-23-11-17(21-12-23)16-10-13(18(24)25)6-7-20-16/h2-7,10-12H,8-9H2,1H3,(H,24,25).
What are the key properties of 2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 356.81 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chloro-N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86269079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).