1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride

C21H24Cl2N4O2 — CID 120744003

IUPAC1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
SMILESCl.NC[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@H]1c1ccccc1
InChIInChI=1S/C21H23ClN4O2.ClH/c22-19-7-6-16(26-9-8-24-21(26)28)10-17(19)20(27)25-12-15(11-23)18(13-25)14-4-2-1-3-5-14;/h1-7,10,15,18H,8-9,11-13,23H2,(H,24,28);1H/t15-,18+;/m1./s1
InChIKeyRSDUVUWHRYNYBF-CFILVAQYSA-N
MW435.36 g/mol
LogP3.11
Rot. Bonds4

About 1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride

1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride (PubChem CID 120744003) has the molecular formula C21H24Cl2N4O2 and a molecular weight of 435.36 g/mol. Its IUPAC name is 1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
PubChem CID120744003
Molecular FormulaC21H24Cl2N4O2
Molecular Weight435.36 g/mol
Exact Mass434.13
IUPAC Name1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
SMILESCl.NC[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@H]1c1ccccc1
InChIInChI=1S/C21H23ClN4O2.ClH/c22-19-7-6-16(26-9-8-24-21(26)28)10-17(19)20(27)25-12-15(11-23)18(13-25)14-4-2-1-3-5-14;/h1-7,10,15,18H,8-9,11-13,23H2,(H,24,28);1H/t15-,18+;/m1./s1
InChIKeyRSDUVUWHRYNYBF-CFILVAQYSA-N
XLogP3.11
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride with MolForge

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Related Compounds

1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one
CID 119487350
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 120742649
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 120748028
1-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]imidazolidin-2-one
CID 119381905
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 120743162
5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one;hydrochloride
CID 120745692
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120744819
1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119542484
5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 120745693
1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119493962
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120745684
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
CID 120742712

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride (CID 120744003) is 1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride is Cl.NC[C@@H]1CN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C[C@H]1c1ccccc1.
What is the InChIKey of 1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride?
The InChIKey is RSDUVUWHRYNYBF-CFILVAQYSA-N. The full InChI is InChI=1S/C21H23ClN4O2.ClH/c22-19-7-6-16(26-9-8-24-21(26)28)10-17(19)20(27)25-12-15(11-23)18(13-25)14-4-2-1-3-5-14;/h1-7,10,15,18H,8-9,11-13,23H2,(H,24,28);1H/t15-,18+;/m1./s1.
What are the key properties of 1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride?
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride has a molecular weight of 435.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 120744003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).