1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one

C15H24N4O — CID 43460290

IUPAC1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one
SMILESCC(C)N(CCN1CCNC1=O)Cc1cccc(N)c1
InChIInChI=1S/C15H24N4O/c1-12(2)19(9-8-18-7-6-17-15(18)20)11-13-4-3-5-14(16)10-13/h3-5,10,12H,6-9,11,16H2,1-2H3,(H,17,20)
InChIKeyGPXARVRMZMYYPH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.50
Rot. Bonds6

About 1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one

1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one (PubChem CID 43460290) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one
PubChem CID43460290
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one
SMILESCC(C)N(CCN1CCNC1=O)Cc1cccc(N)c1
InChIInChI=1S/C15H24N4O/c1-12(2)19(9-8-18-7-6-17-15(18)20)11-13-4-3-5-14(16)10-13/h3-5,10,12H,6-9,11,16H2,1-2H3,(H,17,20)
InChIKeyGPXARVRMZMYYPH-UHFFFAOYSA-N
XLogP1.50
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]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

Related Compounds

1,1-Dimethyl-3-(3-methylphenyl)urea
CID 123428
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-methylphenyl)urea
CID 4996665
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
CID 24768227
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-fluorophenyl)urea
CID 24768228
N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 2987636
1-Cyclohexyl-3-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 25263990
1-Cyclohexyl-3-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 25263991
4-methyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264122
N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4916632
N-(2,5-dimethylphenyl)-N'-[2-(4-propylpiperazin-1-yl)ethyl]urea
CID 22430388
1-(Cyclopropylmethyl)-3-(3-methylphenyl)urea
CID 2815457
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one (CID 43460290) is 1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one is CC(C)N(CCN1CCNC1=O)Cc1cccc(N)c1.
What is the InChIKey of 1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one?
The InChIKey is GPXARVRMZMYYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)19(9-8-18-7-6-17-15(18)20)11-13-4-3-5-14(16)10-13/h3-5,10,12H,6-9,11,16H2,1-2H3,(H,17,20).
What are the key properties of 1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one?
1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 43460290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).