2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one

C19H20ClN3O — CID 118631147

IUPAC2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C1CCCCC1
InChIInChI=1S/C19H20ClN3O/c1-13-11-18(24)22-12-17(14-7-9-15(20)10-8-14)21-19(22)23(13)16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3
InChIKeyJASHNGKBCWHXAO-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.63
Rot. Bonds2

About 2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one

2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631147) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one
PubChem CID118631147
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C1CCCCC1
InChIInChI=1S/C19H20ClN3O/c1-13-11-18(24)22-12-17(14-7-9-15(20)10-8-14)21-19(22)23(13)16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3
InChIKeyJASHNGKBCWHXAO-UHFFFAOYSA-N
XLogP4.63
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one (CID 118631147) is 2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one is Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is JASHNGKBCWHXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13-11-18(24)22-12-17(14-7-9-15(20)10-8-14)21-19(22)23(13)16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 341.84 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-cyclohexyl-7-methylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).