5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine

C18H21ClN4 — CID 86620286

IUPAC5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine
SMILESCCc1cccc(C)c1CNc1cc(Cl)nc2c1nc(C)n2C
InChIInChI=1S/C18H21ClN4/c1-5-13-8-6-7-11(2)14(13)10-20-15-9-16(19)22-18-17(15)21-12(3)23(18)4/h6-9H,5,10H2,1-4H3,(H,20,22)
InChIKeyXLXFDWRWUAEUPV-UHFFFAOYSA-N
MW328.85 g/mol
LogP4.41
Rot. Bonds4

About 5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine

5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine (PubChem CID 86620286) has the molecular formula C18H21ClN4 and a molecular weight of 328.85 g/mol. Its IUPAC name is 5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine
PubChem CID86620286
Molecular FormulaC18H21ClN4
Molecular Weight328.85 g/mol
Exact Mass328.15
IUPAC Name5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine
SMILESCCc1cccc(C)c1CNc1cc(Cl)nc2c1nc(C)n2C
InChIInChI=1S/C18H21ClN4/c1-5-13-8-6-7-11(2)14(13)10-20-15-9-16(19)22-18-17(15)21-12(3)23(18)4/h6-9H,5,10H2,1-4H3,(H,20,22)
InChIKeyXLXFDWRWUAEUPV-UHFFFAOYSA-N
XLogP4.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine (CID 86620286) is 5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine is CCc1cccc(C)c1CNc1cc(Cl)nc2c1nc(C)n2C.
What is the InChIKey of 5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is XLXFDWRWUAEUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4/c1-5-13-8-6-7-11(2)14(13)10-20-15-9-16(19)22-18-17(15)21-12(3)23(18)4/h6-9H,5,10H2,1-4H3,(H,20,22).
What are the key properties of 5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine?
5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 328.85 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-ethyl-6-methylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 86620286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).