4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide

C15H18N4O3 — CID 119450358

IUPAC4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide
SMILESCC1(c2ccc(C(=O)NC3CCNC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C15H18N4O3/c1-15(13(21)18-14(22)19-15)10-4-2-9(3-5-10)12(20)17-11-6-7-16-8-11/h2-5,11,16H,6-8H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyBESZENAXEZOVFM-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.17
Rot. Bonds3

About 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide

4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 119450358) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide
PubChem CID119450358
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide
SMILESCC1(c2ccc(C(=O)NC3CCNC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C15H18N4O3/c1-15(13(21)18-14(22)19-15)10-4-2-9(3-5-10)12(20)17-11-6-7-16-8-11/h2-5,11,16H,6-8H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyBESZENAXEZOVFM-UHFFFAOYSA-N
XLogP-0.17
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 124571337
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 83619398
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165
4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454464
6-oxo-N-pyrrolidin-3-ylpyran-3-carboxamide
CID 62379515
N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
CID 82176966
5-methyl-5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494989

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide (CID 119450358) is 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide is CC1(c2ccc(C(=O)NC3CCNC3)cc2)NC(=O)NC1=O.
What is the InChIKey of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is BESZENAXEZOVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-15(13(21)18-14(22)19-15)10-4-2-9(3-5-10)12(20)17-11-6-7-16-8-11/h2-5,11,16H,6-8H2,1H3,(H,17,20)(H2,18,19,21,22).
What are the key properties of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide?
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 302.33 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119450358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).