2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one

C22H22N4O2 — CID 69224916

IUPAC2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCc1ccc(C(=O)CN2c3nc(-c4ccncc4)cc(=O)n3CC2(C)C)cc1
InChIInChI=1S/C22H22N4O2/c1-15-4-6-17(7-5-15)19(27)13-26-21-24-18(16-8-10-23-11-9-16)12-20(28)25(21)14-22(26,2)3/h4-12H,13-14H2,1-3H3
InChIKeyTZJIBXFNUKACEO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.10
Rot. Bonds4

About 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one

2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 69224916) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID69224916
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCc1ccc(C(=O)CN2c3nc(-c4ccncc4)cc(=O)n3CC2(C)C)cc1
InChIInChI=1S/C22H22N4O2/c1-15-4-6-17(7-5-15)19(27)13-26-21-24-18(16-8-10-23-11-9-16)12-20(28)25(21)14-22(26,2)3/h4-12H,13-14H2,1-3H3
InChIKeyTZJIBXFNUKACEO-UHFFFAOYSA-N
XLogP3.10
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one (CID 69224916) is 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one is Cc1ccc(C(=O)CN2c3nc(-c4ccncc4)cc(=O)n3CC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is TZJIBXFNUKACEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-4-6-17(7-5-15)19(27)13-26-21-24-18(16-8-10-23-11-9-16)12-20(28)25(21)14-22(26,2)3/h4-12H,13-14H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one?
2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 374.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 69224916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).