2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine

C22H28ClN3O — CID 69060670

IUPAC2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine
SMILESCCCN(CCC)c1cc(C)c2nc(-c3ccc(OC)cc3Cl)c(C)n2c1
InChIInChI=1S/C22H28ClN3O/c1-6-10-25(11-7-2)17-12-15(3)22-24-21(16(4)26(22)14-17)19-9-8-18(27-5)13-20(19)23/h8-9,12-14H,6-7,10-11H2,1-5H3
InChIKeyZLUXUTRLFYMAOA-UHFFFAOYSA-N
MW385.94 g/mol
LogP5.91
Rot. Bonds7

About 2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine

2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine (PubChem CID 69060670) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine
PubChem CID69060670
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine
SMILESCCCN(CCC)c1cc(C)c2nc(-c3ccc(OC)cc3Cl)c(C)n2c1
InChIInChI=1S/C22H28ClN3O/c1-6-10-25(11-7-2)17-12-15(3)22-24-21(16(4)26(22)14-17)19-9-8-18(27-5)13-20(19)23/h8-9,12-14H,6-7,10-11H2,1-5H3
InChIKeyZLUXUTRLFYMAOA-UHFFFAOYSA-N
XLogP5.91
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine (CID 69060670) is 2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine is CCCN(CCC)c1cc(C)c2nc(-c3ccc(OC)cc3Cl)c(C)n2c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine?
The InChIKey is ZLUXUTRLFYMAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-6-10-25(11-7-2)17-12-15(3)22-24-21(16(4)26(22)14-17)19-9-8-18(27-5)13-20(19)23/h8-9,12-14H,6-7,10-11H2,1-5H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine?
2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine has a molecular weight of 385.94 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-3,8-dimethyl-N,N-dipropylimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 69060670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).