N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide

C18H21ClN4O2 — CID 3072193

IUPACN-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1cnc2n(c1=O)CC(c1ccccc1Cl)N2C
InChIInChI=1S/C18H21ClN4O2/c1-3-4-9-20-16(24)13-10-21-18-22(2)15(11-23(18)17(13)25)12-7-5-6-8-14(12)19/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,20,24)
InChIKeyHCZNXSUBIGKUCI-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.62
Rot. Bonds5

About N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide

N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 3072193) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID3072193
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1cnc2n(c1=O)CC(c1ccccc1Cl)N2C
InChIInChI=1S/C18H21ClN4O2/c1-3-4-9-20-16(24)13-10-21-18-22(2)15(11-23(18)17(13)25)12-7-5-6-8-14(12)19/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,20,24)
InChIKeyHCZNXSUBIGKUCI-UHFFFAOYSA-N
XLogP2.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 3373978
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N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
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N-butyl-1-(methylamino)isoquinoline-4-carboxamide
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N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99844784
5-oxo-N-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5020022
N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384970
N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
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4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide (CID 3072193) is N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide is CCCCNC(=O)c1cnc2n(c1=O)CC(c1ccccc1Cl)N2C.
What is the InChIKey of N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is HCZNXSUBIGKUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-3-4-9-20-16(24)13-10-21-18-22(2)15(11-23(18)17(13)25)12-7-5-6-8-14(12)19/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,20,24).
What are the key properties of N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-chlorophenyl)-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3072193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).