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

C18H17ClN4O2 — CID 90457147

IUPAC2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
SMILESCN(CCc1ncc(-c2cc(C(=O)O)ccn2)[nH]1)c1ccccc1Cl
InChIInChI=1S/C18H17ClN4O2/c1-23(16-5-3-2-4-13(16)19)9-7-17-21-11-15(22-17)14-10-12(18(24)25)6-8-20-14/h2-6,8,10-11H,7,9H2,1H3,(H,21,22)(H,24,25)
InChIKeyJJPNEVPJAZVYSD-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.50
Rot. Bonds6

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

2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid (PubChem CID 90457147) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
PubChem CID90457147
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
SMILESCN(CCc1ncc(-c2cc(C(=O)O)ccn2)[nH]1)c1ccccc1Cl
InChIInChI=1S/C18H17ClN4O2/c1-23(16-5-3-2-4-13(16)19)9-7-17-21-11-15(22-17)14-10-12(18(24)25)6-8-20-14/h2-6,8,10-11H,7,9H2,1H3,(H,21,22)(H,24,25)
InChIKeyJJPNEVPJAZVYSD-UHFFFAOYSA-N
XLogP3.50
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid (CID 90457147) is 2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid is CN(CCc1ncc(-c2cc(C(=O)O)ccn2)[nH]1)c1ccccc1Cl.
What is the InChIKey of 2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
The InChIKey is JJPNEVPJAZVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-23(16-5-3-2-4-13(16)19)9-7-17-21-11-15(22-17)14-10-12(18(24)25)6-8-20-14/h2-6,8,10-11H,7,9H2,1H3,(H,21,22)(H,24,25).
What are the key properties of 2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid?
2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid has a molecular weight of 356.81 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-chloro-N-methylanilino)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90457147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).