2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide

C21H24ClN3O — CID 175520441

IUPAC2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide
SMILESCc1ccc(-c2nc3c(C)c(C)c(CC(=O)N(C)C)c(C)n3c2Cl)cc1
InChIInChI=1S/C21H24ClN3O/c1-12-7-9-16(10-8-12)19-20(22)25-15(4)17(11-18(26)24(5)6)13(2)14(3)21(25)23-19/h7-10H,11H2,1-6H3
InChIKeyXZHZSAZFYFCVOC-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.52
Rot. Bonds3

About 2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide

2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide (PubChem CID 175520441) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide
PubChem CID175520441
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide
SMILESCc1ccc(-c2nc3c(C)c(C)c(CC(=O)N(C)C)c(C)n3c2Cl)cc1
InChIInChI=1S/C21H24ClN3O/c1-12-7-9-16(10-8-12)19-20(22)25-15(4)17(11-18(26)24(5)6)13(2)14(3)21(25)23-19/h7-10H,11H2,1-6H3
InChIKeyXZHZSAZFYFCVOC-UHFFFAOYSA-N
XLogP4.52
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide (CID 175520441) is 2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide is Cc1ccc(-c2nc3c(C)c(C)c(CC(=O)N(C)C)c(C)n3c2Cl)cc1.
What is the InChIKey of 2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide?
The InChIKey is XZHZSAZFYFCVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-12-7-9-16(10-8-12)19-20(22)25-15(4)17(11-18(26)24(5)6)13(2)14(3)21(25)23-19/h7-10H,11H2,1-6H3.
What are the key properties of 2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide?
2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide has a molecular weight of 369.90 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5,7,8-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 175520441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).