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

C20H21Cl2N3O2 — CID 25140329

IUPACN-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1c(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C20H21Cl2N3O2/c1-3-4-9-24(2)18(27)11-17-19(13-5-7-15(26)8-6-13)23-20-16(22)10-14(21)12-25(17)20/h5-8,10,12,26H,3-4,9,11H2,1-2H3
InChIKeyHFZURTFCXRAFDW-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.81
Rot. Bonds6

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

N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide (PubChem CID 25140329) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
PubChem CID25140329
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC NameN-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1c(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C20H21Cl2N3O2/c1-3-4-9-24(2)18(27)11-17-19(13-5-7-15(26)8-6-13)23-20-16(22)10-14(21)12-25(17)20/h5-8,10,12,26H,3-4,9,11H2,1-2H3
InChIKeyHFZURTFCXRAFDW-UHFFFAOYSA-N
XLogP4.81
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide (CID 25140329) is N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide is CCCCN(C)C(=O)Cc1c(-c2ccc(O)cc2)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?
The InChIKey is HFZURTFCXRAFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c1-3-4-9-24(2)18(27)11-17-19(13-5-7-15(26)8-6-13)23-20-16(22)10-14(21)12-25(17)20/h5-8,10,12,26H,3-4,9,11H2,1-2H3.
What are the key properties of N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide?
N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide has a molecular weight of 406.31 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide is sourced from PubChem (CID 25140329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).