7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one

C14H14N2O2 — CID 14265739

IUPAC7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one
SMILESCc1ccc(C(=O)C2=C3NCCN3C(=O)C2)cc1
InChIInChI=1S/C14H14N2O2/c1-9-2-4-10(5-3-9)13(18)11-8-12(17)16-7-6-15-14(11)16/h2-5,15H,6-8H2,1H3
InChIKeyNECNKQFSUSVDKV-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.22
Rot. Bonds2

About 7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one

7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one (PubChem CID 14265739) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one.

Molecular Properties

Compound Name7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one
PubChem CID14265739
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one
SMILESCc1ccc(C(=O)C2=C3NCCN3C(=O)C2)cc1
InChIInChI=1S/C14H14N2O2/c1-9-2-4-10(5-3-9)13(18)11-8-12(17)16-7-6-15-14(11)16/h2-5,15H,6-8H2,1H3
InChIKeyNECNKQFSUSVDKV-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide
CID 2810721
3-[2-(4-Ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2450452
3-[2-(4-Ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 4528054
8-benzoyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 10331855
3-[2-(4-Ethylphenyl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 2386415
3-Phenacyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 2447769
N-(3-oxo-3-phenylpropyl)imidazolidin-2-one
CID 11183562
8-benzoyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one
CID 13696695
8-benzoyl-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
CID 14265729
8-(2,4-dimethylbenzoyl)-2,3,4,7-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
CID 14265732
9-Benzoyl-1,2,3,4,5,8-hexahydropyrrolo[1,2-a][1,3]diazepin-7-one
CID 14265735
9-(4-Methylbenzoyl)-1,2,3,4,5,8-hexahydropyrrolo[1,2-a][1,3]diazepin-7-one
CID 14265736

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one?
The IUPAC name of 7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one (CID 14265739) is 7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one.
What is the SMILES notation for 7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one?
The canonical SMILES for 7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one is Cc1ccc(C(=O)C2=C3NCCN3C(=O)C2)cc1.
What is the InChIKey of 7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one?
The InChIKey is NECNKQFSUSVDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-2-4-10(5-3-9)13(18)11-8-12(17)16-7-6-15-14(11)16/h2-5,15H,6-8H2,1H3.
What are the key properties of 7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one?
7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one has a molecular weight of 242.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylbenzoyl)-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-5-one is sourced from PubChem (CID 14265739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).