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

C19H18Cl3N3O — CID 11441263

IUPACN-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCCCCNC(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C19H18Cl3N3O/c1-2-3-8-23-17(26)10-16-18(12-4-6-13(20)7-5-12)24-19-15(22)9-14(21)11-25(16)19/h4-7,9,11H,2-3,8,10H2,1H3,(H,23,26)
InChIKeyYCVAXNAZPCCBEH-UHFFFAOYSA-N
MW410.73 g/mol
LogP5.42
Rot. Bonds6

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

N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 11441263) has the molecular formula C19H18Cl3N3O and a molecular weight of 410.73 g/mol. Its IUPAC name is N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID11441263
Molecular FormulaC19H18Cl3N3O
Molecular Weight410.73 g/mol
Exact Mass409.05
IUPAC NameN-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCCCCNC(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C19H18Cl3N3O/c1-2-3-8-23-17(26)10-16-18(12-4-6-13(20)7-5-12)24-19-15(22)9-14(21)11-25(16)19/h4-7,9,11H,2-3,8,10H2,1H3,(H,23,26)
InChIKeyYCVAXNAZPCCBEH-UHFFFAOYSA-N
XLogP5.42
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 55.42
H-Bond Donors ≤ 51
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 N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (CID 11441263) is N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is CCCCNC(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is YCVAXNAZPCCBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O/c1-2-3-8-23-17(26)10-16-18(12-4-6-13(20)7-5-12)24-19-15(22)9-14(21)11-25(16)19/h4-7,9,11H,2-3,8,10H2,1H3,(H,23,26).
What are the key properties of N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 410.73 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 11441263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).