3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one

C27H30FN5O2 — CID 46881390

IUPAC3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one
SMILESCc1cc(C)c(N2C(=O)CCn3c2nc(C)c3C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C27H30FN5O2/c1-17-15-18(2)24(19(3)16-17)33-23(34)9-10-32-25(20(4)29-27(32)33)26(35)31-13-11-30(12-14-31)22-8-6-5-7-21(22)28/h5-8,15-16H,9-14H2,1-4H3
InChIKeyISYXQSJHBBCMFG-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.29
Rot. Bonds3

About 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one (PubChem CID 46881390) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one
PubChem CID46881390
Molecular FormulaC27H30FN5O2
Molecular Weight475.57 g/mol
Exact Mass475.24
IUPAC Name3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one
SMILESCc1cc(C)c(N2C(=O)CCn3c2nc(C)c3C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C27H30FN5O2/c1-17-15-18(2)24(19(3)16-17)33-23(34)9-10-32-25(20(4)29-27(32)33)26(35)31-13-11-30(12-14-31)22-8-6-5-7-21(22)28/h5-8,15-16H,9-14H2,1-4H3
InChIKeyISYXQSJHBBCMFG-UHFFFAOYSA-N
XLogP4.29
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4883772
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one
CID 110295970
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3779207
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 146080413
[4-(2-fluorophenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319319
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one (CID 46881390) is 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one is Cc1cc(C)c(N2C(=O)CCn3c2nc(C)c3C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one?
The InChIKey is ISYXQSJHBBCMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2/c1-17-15-18(2)24(19(3)16-17)33-23(34)9-10-32-25(20(4)29-27(32)33)26(35)31-13-11-30(12-14-31)22-8-6-5-7-21(22)28/h5-8,15-16H,9-14H2,1-4H3.
What are the key properties of 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one?
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one has a molecular weight of 475.57 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 46881390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).