1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione

C23H26N2O2 — CID 110355075

IUPAC1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CC2CCCN2C1c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c26-21(18-9-3-1-4-10-18)14-7-15-22(27)25-17-20-13-8-16-24(20)23(25)19-11-5-2-6-12-19/h1-6,9-12,20,23H,7-8,13-17H2
InChIKeyIXSYFTOPMUBIMQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.05
Rot. Bonds6

About 1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione

1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione (PubChem CID 110355075) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione
PubChem CID110355075
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CC2CCCN2C1c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c26-21(18-9-3-1-4-10-18)14-7-15-22(27)25-17-20-13-8-16-24(20)23(25)19-11-5-2-6-12-19/h1-6,9-12,20,23H,7-8,13-17H2
InChIKeyIXSYFTOPMUBIMQ-UHFFFAOYSA-N
XLogP4.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione 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

2-(4-methylphenoxy)-1-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)ethanone
CID 110316341
(3-fluorophenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
CID 110316313
(4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
CID 110316317
2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)ethanone
CID 110634595
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-5-phenylpentane-1,5-dione
CID 135103785
1-phenyl-5-[4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]pentane-1,5-dione
CID 99983899
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-phenylbutan-1-one
CID 63151034
1-[3-(dimethylamino)azepan-1-yl]-5-phenylpentane-1,5-dione
CID 78087224
1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione
CID 121186913
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
1-phenyl-5-[4-(triazol-2-yl)piperidin-1-yl]pentane-1,5-dione
CID 121164859
1-phenyl-5-[2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]pentane-1,5-dione
CID 90653809

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione?
The IUPAC name of 1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione (CID 110355075) is 1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione.
What is the SMILES notation for 1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione?
The canonical SMILES for 1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione is O=C(CCCC(=O)N1CC2CCCN2C1c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione?
The InChIKey is IXSYFTOPMUBIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-21(18-9-3-1-4-10-18)14-7-15-22(27)25-17-20-13-8-16-24(20)23(25)19-11-5-2-6-12-19/h1-6,9-12,20,23H,7-8,13-17H2.
What are the key properties of 1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione?
1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione has a molecular weight of 362.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)pentane-1,5-dione is sourced from PubChem (CID 110355075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).