4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C17H23ClN4O3 — CID 119534260

IUPAC4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCC1(c2ccc(C(=O)NCCC3CCNC3)cc2)NC(=O)NC1=O.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-17(15(23)20-16(24)21-17)13-4-2-12(3-5-13)14(22)19-9-7-11-6-8-18-10-11;/h2-5,11,18H,6-10H2,1H3,(H,19,22)(H2,20,21,23,24);1H
InChIKeyFBQSRJAUAWZAQY-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.89
Rot. Bonds5

About 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119534260) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119534260
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCC1(c2ccc(C(=O)NCCC3CCNC3)cc2)NC(=O)NC1=O.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-17(15(23)20-16(24)21-17)13-4-2-12(3-5-13)14(22)19-9-7-11-6-8-18-10-11;/h2-5,11,18H,6-10H2,1H3,(H,19,22)(H2,20,21,23,24);1H
InChIKeyFBQSRJAUAWZAQY-UHFFFAOYSA-N
XLogP0.89
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.89
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

4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-pyrrolidin-3-ylbenzamide
CID 119450358
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
N-(3-aminopropyl)-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide;hydrochloride
CID 119405592
4-[[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]butanoic acid
CID 129467405
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534238
4-(cyclopropanecarbonylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537668
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119534260) is 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is CC1(c2ccc(C(=O)NCCC3CCNC3)cc2)NC(=O)NC1=O.Cl.
What is the InChIKey of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is FBQSRJAUAWZAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c1-17(15(23)20-16(24)21-17)13-4-2-12(3-5-13)14(22)19-9-7-11-6-8-18-10-11;/h2-5,11,18H,6-10H2,1H3,(H,19,22)(H2,20,21,23,24);1H.
What are the key properties of 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 0.89, 5 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-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119534260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).