2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide

C23H21ClN4O2 — CID 6622674

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide
SMILESCc1c(-c2cccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2)nc2ncccn12
InChIInChI=1S/C23H21ClN4O2/c1-15-20(27-22-25-12-5-13-28(15)22)16-6-4-7-18(14-16)26-21(29)23(2,3)30-19-10-8-17(24)9-11-19/h4-14H,1-3H3,(H,26,29)
InChIKeyYJYOLACXKADRSA-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.15
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide (PubChem CID 6622674) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide
PubChem CID6622674
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide
SMILESCc1c(-c2cccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2)nc2ncccn12
InChIInChI=1S/C23H21ClN4O2/c1-15-20(27-22-25-12-5-13-28(15)22)16-6-4-7-18(14-16)26-21(29)23(2,3)30-19-10-8-17(24)9-11-19/h4-14H,1-3H3,(H,26,29)
InChIKeyYJYOLACXKADRSA-UHFFFAOYSA-N
XLogP5.15
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide (CID 6622674) is 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide is Cc1c(-c2cccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2)nc2ncccn12.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide?
The InChIKey is YJYOLACXKADRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-15-20(27-22-25-12-5-13-28(15)22)16-6-4-7-18(14-16)26-21(29)23(2,3)30-19-10-8-17(24)9-11-19/h4-14H,1-3H3,(H,26,29).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide has a molecular weight of 420.90 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 6622674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).