N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide

C18H17Cl2N3O2 — CID 18923545

IUPACN-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(Cl)c(COc2cccn3cc(C)nc23)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2/c1-11-9-23-6-4-5-17(18(23)21-11)25-10-14-15(19)7-13(8-16(14)20)22(3)12(2)24/h4-9H,10H2,1-3H3
InChIKeyYDBPJNALSPYUCP-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.51
Rot. Bonds4

About N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide

N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide (PubChem CID 18923545) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide
PubChem CID18923545
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(Cl)c(COc2cccn3cc(C)nc23)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2/c1-11-9-23-6-4-5-17(18(23)21-11)25-10-14-15(19)7-13(8-16(14)20)22(3)12(2)24/h4-9H,10H2,1-3H3
InChIKeyYDBPJNALSPYUCP-UHFFFAOYSA-N
XLogP4.51
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The IUPAC name of N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide (CID 18923545) is N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide is CC(=O)N(C)c1cc(Cl)c(COc2cccn3cc(C)nc23)c(Cl)c1.
What is the InChIKey of N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The InChIKey is YDBPJNALSPYUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-11-9-23-6-4-5-17(18(23)21-11)25-10-14-15(19)7-13(8-16(14)20)22(3)12(2)24/h4-9H,10H2,1-3H3.
What are the key properties of N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide has a molecular weight of 378.26 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[(2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 18923545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).