2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide

C22H24Cl3N3O — CID 11775349

IUPAC2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C22H24Cl3N3O/c1-4-10-27(11-5-2)22(29)14(3)20-19(15-6-8-16(23)9-7-15)26-21-18(25)12-17(24)13-28(20)21/h6-9,12-14H,4-5,10-11H2,1-3H3
InChIKeyCTQFEYSDQWQZTD-UHFFFAOYSA-N
MW452.81 g/mol
LogP6.71
Rot. Bonds7

About 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide

2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide (PubChem CID 11775349) has the molecular formula C22H24Cl3N3O and a molecular weight of 452.81 g/mol. Its IUPAC name is 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide
PubChem CID11775349
Molecular FormulaC22H24Cl3N3O
Molecular Weight452.81 g/mol
Exact Mass451.10
IUPAC Name2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C22H24Cl3N3O/c1-4-10-27(11-5-2)22(29)14(3)20-19(15-6-8-16(23)9-7-15)26-21-18(25)12-17(24)13-28(20)21/h6-9,12-14H,4-5,10-11H2,1-3H3
InChIKeyCTQFEYSDQWQZTD-UHFFFAOYSA-N
XLogP6.71
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide?
The IUPAC name of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide (CID 11775349) is 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide.
What is the SMILES notation for 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide?
The canonical SMILES for 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)C(C)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide?
The InChIKey is CTQFEYSDQWQZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl3N3O/c1-4-10-27(11-5-2)22(29)14(3)20-19(15-6-8-16(23)9-7-15)26-21-18(25)12-17(24)13-28(20)21/h6-9,12-14H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide?
2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide has a molecular weight of 452.81 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylpropanamide is sourced from PubChem (CID 11775349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).