2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride

C21H24Cl4N4O — CID 25138878

IUPAC2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12.Cl
InChIInChI=1S/C21H23Cl3N4O.ClH/c1-3-7-27(8-4-2)19(29)11-18-20(13-5-6-15(23)17(25)9-13)26-21-16(24)10-14(22)12-28(18)21;/h5-6,9-10,12H,3-4,7-8,11,25H2,1-2H3;1H
InChIKeyHPLDGKFCVMMWLS-UHFFFAOYSA-N
MW490.26 g/mol
LogP6.16
Rot. Bonds7

About 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride

2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride (PubChem CID 25138878) has the molecular formula C21H24Cl4N4O and a molecular weight of 490.26 g/mol. Its IUPAC name is 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride
PubChem CID25138878
Molecular FormulaC21H24Cl4N4O
Molecular Weight490.26 g/mol
Exact Mass488.07
IUPAC Name2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12.Cl
InChIInChI=1S/C21H23Cl3N4O.ClH/c1-3-7-27(8-4-2)19(29)11-18-20(13-5-6-15(23)17(25)9-13)26-21-16(24)10-14(22)12-28(18)21;/h5-6,9-10,12H,3-4,7-8,11,25H2,1-2H3;1H
InChIKeyHPLDGKFCVMMWLS-UHFFFAOYSA-N
XLogP6.16
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.26
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride?
The IUPAC name of 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride (CID 25138878) is 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride?
The canonical SMILES for 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12.Cl.
What is the InChIKey of 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride?
The InChIKey is HPLDGKFCVMMWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl3N4O.ClH/c1-3-7-27(8-4-2)19(29)11-18-20(13-5-6-15(23)17(25)9-13)26-21-16(24)10-14(22)12-28(18)21;/h5-6,9-10,12H,3-4,7-8,11,25H2,1-2H3;1H.
What are the key properties of 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride?
2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride has a molecular weight of 490.26 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-4-chlorophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;hydrochloride is sourced from PubChem (CID 25138878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).