N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline

C14H12IN3 — CID 699301

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline
SMILESIc1ccc(NCc2cn3ccccc3n2)cc1
InChIInChI=1S/C14H12IN3/c15-11-4-6-12(7-5-11)16-9-13-10-18-8-2-1-3-14(18)17-13/h1-8,10,16H,9H2
InChIKeyZVJLWOFGHJXALY-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.55
Rot. Bonds3

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline (PubChem CID 699301) has the molecular formula C14H12IN3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline
PubChem CID699301
Molecular FormulaC14H12IN3
Molecular Weight349.18 g/mol
Exact Mass349.01
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline
SMILESIc1ccc(NCc2cn3ccccc3n2)cc1
InChIInChI=1S/C14H12IN3/c15-11-4-6-12(7-5-11)16-9-13-10-18-8-2-1-3-14(18)17-13/h1-8,10,16H,9H2
InChIKeyZVJLWOFGHJXALY-UHFFFAOYSA-N
XLogP3.55
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline 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 N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline (CID 699301) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline is Ic1ccc(NCc2cn3ccccc3n2)cc1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline?
The InChIKey is ZVJLWOFGHJXALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3/c15-11-4-6-12(7-5-11)16-9-13-10-18-8-2-1-3-14(18)17-13/h1-8,10,16H,9H2.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline has a molecular weight of 349.18 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-iodoaniline is sourced from PubChem (CID 699301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).