1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one

C15H19ClN4O2 — CID 119487350

IUPAC1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one
SMILESNCC1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1
InChIInChI=1S/C15H19ClN4O2/c16-13-2-1-11(20-6-4-18-15(20)22)7-12(13)14(21)19-5-3-10(8-17)9-19/h1-2,7,10H,3-6,8-9,17H2,(H,18,22)
InChIKeyFPRGHXODWNHIBJ-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.29
Rot. Bonds3

About 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one

1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one (PubChem CID 119487350) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one
PubChem CID119487350
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one
SMILESNCC1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1
InChIInChI=1S/C15H19ClN4O2/c16-13-2-1-11(20-6-4-18-15(20)22)7-12(13)14(21)19-5-3-10(8-17)9-19/h1-2,7,10H,3-6,8-9,17H2,(H,18,22)
InChIKeyFPRGHXODWNHIBJ-UHFFFAOYSA-N
XLogP1.29
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]imidazolidin-2-one
CID 119381905
1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119542484
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
CID 120744003
1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119493962
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 62069294
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119485849
[3-(aminomethyl)pyrrolidin-1-yl]-[2-chloro-5-(trifluoromethyl)phenyl]methanone
CID 91795185
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 124698653
1-[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259052
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 81264813

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one (CID 119487350) is 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one is NCC1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1.
What is the InChIKey of 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one?
The InChIKey is FPRGHXODWNHIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c16-13-2-1-11(20-6-4-18-15(20)22)7-12(13)14(21)19-5-3-10(8-17)9-19/h1-2,7,10H,3-6,8-9,17H2,(H,18,22).
What are the key properties of 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one?
1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one has a molecular weight of 322.80 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one is sourced from PubChem (CID 119487350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).