5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile

C23H25N3O — CID 134920046

IUPAC5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile
SMILESCC1(C#N)CC(C)(C(=O)c2ccccc2)N2CCN(Cc3ccccc3)C21
InChIInChI=1S/C23H25N3O/c1-22(17-24)16-23(2,20(27)19-11-7-4-8-12-19)26-14-13-25(21(22)26)15-18-9-5-3-6-10-18/h3-12,21H,13-16H2,1-2H3
InChIKeyLYHBLMNGFTUCMY-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.71
Rot. Bonds4

About 5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile

5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile (PubChem CID 134920046) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile.

Molecular Properties

Compound Name5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile
PubChem CID134920046
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile
SMILESCC1(C#N)CC(C)(C(=O)c2ccccc2)N2CCN(Cc3ccccc3)C21
InChIInChI=1S/C23H25N3O/c1-22(17-24)16-23(2,20(27)19-11-7-4-8-12-19)26-14-13-25(21(22)26)15-18-9-5-3-6-10-18/h3-12,21H,13-16H2,1-2H3
InChIKeyLYHBLMNGFTUCMY-UHFFFAOYSA-N
XLogP3.71
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R,5R,7R,7aS)-1-benzyl-7-cyano-7-methyl-3-phenyl-3,5,6,7a-tetrahydro-2H-pyrrolo[1,2-a]imidazole-5-carboxylate
CID 50915435
(1-benzyl-3,3-dimethylpyrrolidin-2-yl)-phenylmethanone
CID 42599284
dimethyl (5R,7S,7aR)-1-benzyl-7-methyl-3,5,6,7a-tetrahydro-2H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate
CID 10892932
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
ethyl 1-benzyl-4-cyano-2-methylpiperidine-4-carboxylate
CID 53395322
1-benzyl-5-(4-chlorobenzoyl)-5-methylpyrrolidin-2-one
CID 4874097
N-(1-benzyl-4-cyanopiperidin-4-yl)-N-methylbenzamide
CID 54088114
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
5-O-tert-butyl 7-O-methyl 1-benzyl-5-methyl-3,6,7,7a-tetrahydro-2H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate
CID 134920091
2-[(2S)-1-benzylazetidin-2-yl]acetic acid
CID 118703240

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile?
The IUPAC name of 5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile (CID 134920046) is 5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile.
What is the SMILES notation for 5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile?
The canonical SMILES for 5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile is CC1(C#N)CC(C)(C(=O)c2ccccc2)N2CCN(Cc3ccccc3)C21.
What is the InChIKey of 5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile?
The InChIKey is LYHBLMNGFTUCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-22(17-24)16-23(2,20(27)19-11-7-4-8-12-19)26-14-13-25(21(22)26)15-18-9-5-3-6-10-18/h3-12,21H,13-16H2,1-2H3.
What are the key properties of 5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile?
5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile has a molecular weight of 359.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-1-benzyl-5,7-dimethyl-2,3,6,7a-tetrahydropyrrolo[1,2-a]imidazole-7-carbonitrile is sourced from PubChem (CID 134920046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).