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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).