6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

C18H14ClN3O — CID 22422870

IUPAC6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccccc1Nc1c(-c2ccco2)nc2ccc(Cl)cn12
InChIInChI=1S/C18H14ClN3O/c1-12-5-2-3-6-14(12)20-18-17(15-7-4-10-23-15)21-16-9-8-13(19)11-22(16)18/h2-11,20H,1H3
InChIKeyYTECVEZXNNUVFP-UHFFFAOYSA-N
MW323.78 g/mol
LogP5.30
Rot. Bonds3

About 6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 22422870) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID22422870
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccccc1Nc1c(-c2ccco2)nc2ccc(Cl)cn12
InChIInChI=1S/C18H14ClN3O/c1-12-5-2-3-6-14(12)20-18-17(15-7-4-10-23-15)21-16-9-8-13(19)11-22(16)18/h2-11,20H,1H3
InChIKeyYTECVEZXNNUVFP-UHFFFAOYSA-N
XLogP5.30
TPSA42.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.78
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_C(6)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 22422870) is 6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is Cc1ccccc1Nc1c(-c2ccco2)nc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is YTECVEZXNNUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-12-5-2-3-6-14(12)20-18-17(15-7-4-10-23-15)21-16-9-8-13(19)11-22(16)18/h2-11,20H,1H3.
What are the key properties of 6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 323.78 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 22422870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).