5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine

C15H14ClN3 — CID 82343065

IUPAC5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1ccc(-c2cn3c(Cl)ccc(N)c3n2)cc1C
InChIInChI=1S/C15H14ClN3/c1-9-3-4-11(7-10(9)2)13-8-19-14(16)6-5-12(17)15(19)18-13/h3-8H,17H2,1-2H3
InChIKeyRLICRXKMUREOGF-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.85
Rot. Bonds1

About 5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine

5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 82343065) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID82343065
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCc1ccc(-c2cn3c(Cl)ccc(N)c3n2)cc1C
InChIInChI=1S/C15H14ClN3/c1-9-3-4-11(7-10(9)2)13-8-19-14(16)6-5-12(17)15(19)18-13/h3-8H,17H2,1-2H3
InChIKeyRLICRXKMUREOGF-UHFFFAOYSA-N
XLogP3.85
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine (CID 82343065) is 5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine is Cc1ccc(-c2cn3c(Cl)ccc(N)c3n2)cc1C.
What is the InChIKey of 5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is RLICRXKMUREOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-9-3-4-11(7-10(9)2)13-8-19-14(16)6-5-12(17)15(19)18-13/h3-8H,17H2,1-2H3.
What are the key properties of 5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine?
5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 271.75 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 82343065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).