3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one

C8H15N3O — CID 82412780

IUPAC3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CC(C)N)c1C
InChIInChI=1S/C8H15N3O/c1-5(9)4-11-7(3)6(2)10-8(11)12/h5H,4,9H2,1-3H3,(H,10,12)
InChIKeyNQSBTKQFTRMFDU-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.14
Rot. Bonds2

About 3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one

3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one (PubChem CID 82412780) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one
PubChem CID82412780
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CC(C)N)c1C
InChIInChI=1S/C8H15N3O/c1-5(9)4-11-7(3)6(2)10-8(11)12/h5H,4,9H2,1-3H3,(H,10,12)
InChIKeyNQSBTKQFTRMFDU-UHFFFAOYSA-N
XLogP0.14
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-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 3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one?
The IUPAC name of 3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one (CID 82412780) is 3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one is Cc1[nH]c(=O)n(CC(C)N)c1C.
What is the InChIKey of 3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one?
The InChIKey is NQSBTKQFTRMFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(9)4-11-7(3)6(2)10-8(11)12/h5H,4,9H2,1-3H3,(H,10,12).
What are the key properties of 3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one?
3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-4,5-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 82412780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).