2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide

C19H21ClN4O2 — CID 118631178

IUPAC2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H21ClN4O2/c1-4-22(5-2)18(26)12-23-13(3)10-17(25)24-11-16(21-19(23)24)14-6-8-15(20)9-7-14/h6-11H,4-5,12H2,1-3H3
InChIKeyKRYLULGEXBNPLB-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.99
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide

2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide (PubChem CID 118631178) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide
PubChem CID118631178
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H21ClN4O2/c1-4-22(5-2)18(26)12-23-13(3)10-17(25)24-11-16(21-19(23)24)14-6-8-15(20)9-7-14/h6-11H,4-5,12H2,1-3H3
InChIKeyKRYLULGEXBNPLB-UHFFFAOYSA-N
XLogP2.99
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-8-hexyl-7-methylimidazo[1,2-a]pyrimidin-5-one
CID 118631137
2-(4-chlorophenyl)-8-(2-ethoxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
CID 78426399
8-butyl-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-5-one
CID 118631129
ethyl 2-[2-(4-aminophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
CID 118631156
ethyl 2-[2-(4-bromophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]acetate
CID 78426398
2-(4-chlorophenyl)-7-methyl-8-(4-methyl-3-oxopentan-2-yl)imidazo[1,2-a]pyrimidin-5-one
CID 118631168
2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
CID 118631230
2-(3-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5-one
CID 118631248
2-(4-chlorophenyl)-8-[[4-[(Z)-difluoromethyl(1-hydroxyethylidene)-λ4-sulfanyl]phenyl]methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
CID 144691776
ethyl 2-[7-(4-chlorophenyl)-5-oxo-1-pentylimidazo[1,2-a]pyrimidin-2-yl]acetate
CID 144837765
2-(4-chlorophenyl)-7-(2,5-dimethylpyrrolidin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one
CID 118631337
2-[[(2S)-1-[2-(4-chlorophenyl)-8-ethyl-5-oxoimidazo[1,2-a]pyrimidin-7-yl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoic acid
CID 118631760

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide (CID 118631178) is 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide?
The InChIKey is KRYLULGEXBNPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-4-22(5-2)18(26)12-23-13(3)10-17(25)24-11-16(21-19(23)24)14-6-8-15(20)9-7-14/h6-11H,4-5,12H2,1-3H3.
What are the key properties of 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide?
2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide has a molecular weight of 372.86 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-8-yl]-N,N-diethylacetamide is sourced from PubChem (CID 118631178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).