1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one

C15H21N3O — CID 80581653

IUPAC1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(N)c2ccccc2C)c1=O
InChIInChI=1S/C15H21N3O/c1-3-8-17-9-10-18(15(17)19)11-14(16)13-7-5-4-6-12(13)2/h4-7,9-10,14H,3,8,11,16H2,1-2H3
InChIKeyBFFVDEMNBKTRQW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one

1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one (PubChem CID 80581653) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one
PubChem CID80581653
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CC(N)c2ccccc2C)c1=O
InChIInChI=1S/C15H21N3O/c1-3-8-17-9-10-18(15(17)19)11-14(16)13-7-5-4-6-12(13)2/h4-7,9-10,14H,3,8,11,16H2,1-2H3
InChIKeyBFFVDEMNBKTRQW-UHFFFAOYSA-N
XLogP2.07
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-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-[2-amino-2-(2-methylphenyl)ethyl]-3-methylimidazol-2-one
CID 80580385
1-[2-amino-2-(4-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581654
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950
1-[2-amino-2-(2-methylphenyl)ethyl]pyridin-4-one
CID 62881187
2-(2-ethylimidazol-1-yl)-1-(2-methylphenyl)ethanamine
CID 61402571
3-[2-amino-2-(2-methylphenyl)ethyl]pyrimidin-4-one
CID 63768478
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-propylimidazol-2-one
CID 80579661
1-(2-methylbutyl)-3-propylimidazol-2-one
CID 116624704
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(4-aminopentyl)-3-propylimidazol-2-one
CID 80581550
N-(2-methylphenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624762
1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one (CID 80581653) is 1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one is CCCn1ccn(CC(N)c2ccccc2C)c1=O.
What is the InChIKey of 1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one?
The InChIKey is BFFVDEMNBKTRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-8-17-9-10-18(15(17)19)11-14(16)13-7-5-4-6-12(13)2/h4-7,9-10,14H,3,8,11,16H2,1-2H3.
What are the key properties of 1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one?
1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2-methylphenyl)ethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80581653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).