4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C16H21ClN4O3 — CID 119510545

IUPAC4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C16H20N4O3.ClH/c21-14-9-19-16(23)20(14)10-11-3-5-12(6-4-11)15(22)18-8-13-2-1-7-17-13;/h3-6,13,17H,1-2,7-10H2,(H,18,22)(H,19,23);1H
InChIKeyKYPMTAYLSUXMEX-UHFFFAOYSA-N
MW352.82 g/mol
LogP0.64
Rot. Bonds5

About 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119510545) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119510545
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Name4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C16H20N4O3.ClH/c21-14-9-19-16(23)20(14)10-11-3-5-12(6-4-11)15(22)18-8-13-2-1-7-17-13;/h3-6,13,17H,1-2,7-10H2,(H,18,22)(H,19,23);1H
InChIKeyKYPMTAYLSUXMEX-UHFFFAOYSA-N
XLogP0.64
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 27670779
N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 33381394
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512079
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 17485480
4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512475
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539853
4-(2-methoxyethylsulfonyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511489
2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119511328
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 46650781

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119510545) is 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is KYPMTAYLSUXMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3.ClH/c21-14-9-19-16(23)20(14)10-11-3-5-12(6-4-11)15(22)18-8-13-2-1-7-17-13;/h3-6,13,17H,1-2,7-10H2,(H,18,22)(H,19,23);1H.
What are the key properties of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 352.82 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119510545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).