1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride

C15H20ClFN4O2 — CID 119634190

IUPAC1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride
SMILESCl.NCC1CCCN1C(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C15H19FN4O2.ClH/c16-13-4-3-10(20-7-5-18-15(20)22)8-12(13)14(21)19-6-1-2-11(19)9-17;/h3-4,8,11H,1-2,5-7,9,17H2,(H,18,22);1H
InChIKeyZNPPJRCJNRUSPL-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.34
Rot. Bonds3

About 1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride

1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride (PubChem CID 119634190) has the molecular formula C15H20ClFN4O2 and a molecular weight of 342.80 g/mol. Its IUPAC name is 1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride
PubChem CID119634190
Molecular FormulaC15H20ClFN4O2
Molecular Weight342.80 g/mol
Exact Mass342.13
IUPAC Name1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride
SMILESCl.NCC1CCCN1C(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C15H19FN4O2.ClH/c16-13-4-3-10(20-7-5-18-15(20)22)8-12(13)14(21)19-6-1-2-11(19)9-17;/h3-4,8,11H,1-2,5-7,9,17H2,(H,18,22);1H
InChIKeyZNPPJRCJNRUSPL-UHFFFAOYSA-N
XLogP1.34
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119631398
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119631292
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119633332
1-[3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 120810556
N-[[3-(aminomethyl)-1-fluorocyclobutyl]methyl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 167938598
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 124517231
(3R)-2-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125152045
[2-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119468484
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119464028
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825933
N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119599973

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride (CID 119634190) is 1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride is Cl.NCC1CCCN1C(=O)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of 1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride?
The InChIKey is ZNPPJRCJNRUSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2.ClH/c16-13-4-3-10(20-7-5-18-15(20)22)8-12(13)14(21)19-6-1-2-11(19)9-17;/h3-4,8,11H,1-2,5-7,9,17H2,(H,18,22);1H.
What are the key properties of 1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride?
1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride has a molecular weight of 342.80 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-4-fluorophenyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 119634190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).