2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide

C25H24Cl2N4O — CID 24992232

IUPAC2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCCCCCNC(=O)c1cn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2nc1C
InChIInChI=1S/C25H24Cl2N4O/c1-3-4-5-14-28-24(32)21-15-31-23(18-8-12-20(27)13-9-18)22(30-25(31)29-16(21)2)17-6-10-19(26)11-7-17/h6-13,15H,3-5,14H2,1-2H3,(H,28,32)
InChIKeyJTXKTOAHBBLBHM-UHFFFAOYSA-N
MW467.40 g/mol
LogP6.60
Rot. Bonds7

About 2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide

2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 24992232) has the molecular formula C25H24Cl2N4O and a molecular weight of 467.40 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID24992232
Molecular FormulaC25H24Cl2N4O
Molecular Weight467.40 g/mol
Exact Mass466.13
IUPAC Name2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCCCCCNC(=O)c1cn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2nc1C
InChIInChI=1S/C25H24Cl2N4O/c1-3-4-5-14-28-24(32)21-15-31-23(18-8-12-20(27)13-9-18)22(30-25(31)29-16(21)2)17-6-10-19(26)11-7-17/h6-13,15H,3-5,14H2,1-2H3,(H,28,32)
InChIKeyJTXKTOAHBBLBHM-UHFFFAOYSA-N
XLogP6.60
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 24743398
2-(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 69410874
1,5-bis(4-chlorophenyl)-N-hexadecyl-1,2,4-triazole-3-carboxamide
CID 71583524
2,3-bis(4-chlorophenyl)-N-ethyl-6-iodoimidazo[1,2-a]pyridine-8-carboxamide
CID 24742525
6-(4-chlorophenyl)-2-oxo-N-pentyl-1H-pyridine-3-carboxamide
CID 66497759
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexadecyl-4-methylpyrazole-3-carboxamide
CID 44588401
N-hexyl-2-methylquinoline-3-carboxamide
CID 110489615
2,4-dichloro-N-nonylbenzamide
CID 3596264
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 18205735
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
1-[[2-[4,5-bis(4-chlorophenyl)triazol-1-yl]acetyl]amino]-3-hexylurea
CID 59363165

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide (CID 24992232) is 2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide is CCCCCNC(=O)c1cn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2nc1C.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is JTXKTOAHBBLBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O/c1-3-4-5-14-28-24(32)21-15-31-23(18-8-12-20(27)13-9-18)22(30-25(31)29-16(21)2)17-6-10-19(26)11-7-17/h6-13,15H,3-5,14H2,1-2H3,(H,28,32).
What are the key properties of 2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide?
2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 467.40 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-7-methyl-N-pentylimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24992232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).