4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline

C14H11Cl2N3O — CID 107497897

IUPAC4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
SMILESNc1cc(Cl)c(Cl)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C14H11Cl2N3O/c15-10-5-12(17)13(6-11(10)16)20-8-9-7-19-4-2-1-3-14(19)18-9/h1-7H,8,17H2
InChIKeyDKZNLOUHTYFTKD-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.80
Rot. Bonds3

About 4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline

4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline (PubChem CID 107497897) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
PubChem CID107497897
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
SMILESNc1cc(Cl)c(Cl)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C14H11Cl2N3O/c15-10-5-12(17)13(6-11(10)16)20-8-9-7-19-4-2-1-3-14(19)18-9/h1-7H,8,17H2
InChIKeyDKZNLOUHTYFTKD-UHFFFAOYSA-N
XLogP3.80
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromo-2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 112779233
2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 170746842
5-amino-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 61267731
5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 17469223
2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 79489516
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzonitrile
CID 7433386
2-[(2-bromo-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 28602482
5-chloro-8-(imidazo[1,2-a]pyridin-2-ylmethoxy)quinoline
CID 804228
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
CID 104831461
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarboximidamide
CID 24695598
2-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 171731846

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline?
The IUPAC name of 4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline (CID 107497897) is 4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline.
What is the SMILES notation for 4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline?
The canonical SMILES for 4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline is Nc1cc(Cl)c(Cl)cc1OCc1cn2ccccc2n1.
What is the InChIKey of 4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline?
The InChIKey is DKZNLOUHTYFTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-10-5-12(17)13(6-11(10)16)20-8-9-7-19-4-2-1-3-14(19)18-9/h1-7H,8,17H2.
What are the key properties of 4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline?
4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline has a molecular weight of 308.17 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline is sourced from PubChem (CID 107497897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).