2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide

C27H35Cl2N3O — CID 11248801

IUPAC2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C27H35Cl2N3O/c1-3-5-7-9-17-31(18-10-8-6-4-2)26(33)19-24-27(21-11-13-22(28)14-12-21)30-25-16-15-23(29)20-32(24)25/h11-16,20H,3-10,17-19H2,1-2H3
InChIKeyGQCXMBKAWBPHMG-UHFFFAOYSA-N
MW488.50 g/mol
LogP7.84
Rot. Bonds13

About 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide

2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide (PubChem CID 11248801) has the molecular formula C27H35Cl2N3O and a molecular weight of 488.50 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide
PubChem CID11248801
Molecular FormulaC27H35Cl2N3O
Molecular Weight488.50 g/mol
Exact Mass487.22
IUPAC Name2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C27H35Cl2N3O/c1-3-5-7-9-17-31(18-10-8-6-4-2)26(33)19-24-27(21-11-13-22(28)14-12-21)30-25-16-15-23(29)20-32(24)25/h11-16,20H,3-10,17-19H2,1-2H3
InChIKeyGQCXMBKAWBPHMG-UHFFFAOYSA-N
XLogP7.84
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide?
The IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide (CID 11248801) is 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide.
What is the SMILES notation for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide?
The canonical SMILES for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide is CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide?
The InChIKey is GQCXMBKAWBPHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35Cl2N3O/c1-3-5-7-9-17-31(18-10-8-6-4-2)26(33)19-24-27(21-11-13-22(28)14-12-21)30-25-16-15-23(29)20-32(24)25/h11-16,20H,3-10,17-19H2,1-2H3.
What are the key properties of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide?
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide has a molecular weight of 488.50 g/mol, XLogP of 7.84, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide is sourced from PubChem (CID 11248801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).