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

C27H36ClN3O — CID 10695002

IUPAC2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C27H36ClN3O/c1-3-5-7-10-18-30(19-11-8-6-4-2)26(32)21-24-27(22-14-16-23(28)17-15-22)29-25-13-9-12-20-31(24)25/h9,12-17,20H,3-8,10-11,18-19,21H2,1-2H3
InChIKeyFXIHCHYYMBSSAP-UHFFFAOYSA-N
MW454.06 g/mol
LogP7.19
Rot. Bonds13

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

2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide (PubChem CID 10695002) has the molecular formula C27H36ClN3O and a molecular weight of 454.06 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide
PubChem CID10695002
Molecular FormulaC27H36ClN3O
Molecular Weight454.06 g/mol
Exact Mass453.25
IUPAC Name2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide
SMILESCCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C27H36ClN3O/c1-3-5-7-10-18-30(19-11-8-6-4-2)26(32)21-24-27(22-14-16-23(28)17-15-22)29-25-13-9-12-20-31(24)25/h9,12-17,20H,3-8,10-11,18-19,21H2,1-2H3
InChIKeyFXIHCHYYMBSSAP-UHFFFAOYSA-N
XLogP7.19
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.06
LogP ≤ 57.19
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-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide (CID 10695002) is 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide is CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccccn12.
What is the InChIKey of 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide?
The InChIKey is FXIHCHYYMBSSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClN3O/c1-3-5-7-10-18-30(19-11-8-6-4-2)26(32)21-24-27(22-14-16-23(28)17-15-22)29-25-13-9-12-20-31(24)25/h9,12-17,20H,3-8,10-11,18-19,21H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide?
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide has a molecular weight of 454.06 g/mol, XLogP of 7.19, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dihexylacetamide is sourced from PubChem (CID 10695002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).