2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide

C23H33N5O3 — CID 10836239

IUPAC2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1
InChIInChI=1S/C23H33N5O3/c1-2-10-24-21(29)18-7-3-4-8-19(18)26-16-14-25(15-17-26)11-6-13-28-22(30)20-9-5-12-27(20)23(28)31/h3-4,7-8,20H,2,5-6,9-17H2,1H3,(H,24,29)
InChIKeyISCJYNJGFIYUPS-UHFFFAOYSA-N
MW427.55 g/mol
LogP1.77
Rot. Bonds8

About 2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide

2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide (PubChem CID 10836239) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide.

Molecular Properties

Compound Name2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide
PubChem CID10836239
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1
InChIInChI=1S/C23H33N5O3/c1-2-10-24-21(29)18-7-3-4-8-19(18)26-16-14-25(15-17-26)11-6-13-28-22(30)20-9-5-12-27(20)23(28)31/h3-4,7-8,20H,2,5-6,9-17H2,1H3,(H,24,29)
InChIKeyISCJYNJGFIYUPS-UHFFFAOYSA-N
XLogP1.77
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

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CID 44248189
2-amino-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzamide
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N-cyclohexyl-N'-[2-(1-piperidinylcarbonyl)phenyl]urea
CID 3161851
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CID 6502162
N-(2-Cyclohex-1-enyl-ethyl)-2-(3-methyl-2,4-dioxo-3,4-dihydro-2H-quinazolin-1-yl)-acetamide
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3-[4-[4-(2-Methylphenyl)piperazino]butyl]-1,3-diazabicyclo[3.3.0]octane-2,4-dione
CID 4306767
5-[1-({[2-(Cyclohex-1-EN-1-YL)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-YL]-N-cyclopentylpentanamide
CID 9550424
2-{4-[4-(1,3-dioxohexahydroimidazo[1,5-a]pyridin-2(3H)-yl)butyl]-1-piperazinyl}-N-propylbenzamide
CID 10503960
(3aR,6aS)-N-[(1S)-1-(4-Benzoyl-6-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl)-3-methyl-butyl]-4-dimethylamino-benzamide
CID 46878211

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide?
The IUPAC name of 2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide (CID 10836239) is 2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide.
What is the SMILES notation for 2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide?
The canonical SMILES for 2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide is CCCNC(=O)c1ccccc1N1CCN(CCCN2C(=O)C3CCCN3C2=O)CC1.
What is the InChIKey of 2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide?
The InChIKey is ISCJYNJGFIYUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-2-10-24-21(29)18-7-3-4-8-19(18)26-16-14-25(15-17-26)11-6-13-28-22(30)20-9-5-12-27(20)23(28)31/h3-4,7-8,20H,2,5-6,9-17H2,1H3,(H,24,29).
What are the key properties of 2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide?
2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide has a molecular weight of 427.55 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)propyl]piperazin-1-yl]-N-propylbenzamide is sourced from PubChem (CID 10836239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).