1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one

C6H11N3O — CID 142858674

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one
SMILESCC(=O)CNC1=NCCN1
InChIInChI=1S/C6H11N3O/c1-5(10)4-9-6-7-2-3-8-6/h2-4H2,1H3,(H2,7,8,9)
InChIKeyWRGGGXSNCMHQEO-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.88
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one

1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one (PubChem CID 142858674) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one
PubChem CID142858674
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one
SMILESCC(=O)CNC1=NCCN1
InChIInChI=1S/C6H11N3O/c1-5(10)4-9-6-7-2-3-8-6/h2-4H2,1H3,(H2,7,8,9)
InChIKeyWRGGGXSNCMHQEO-UHFFFAOYSA-N
XLogP-0.88
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-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-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol
CID 115618533
1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one
CID 58774108
N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89121666
tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide
CID 119135660
N-(2,2,3,3-tetramethylbutyl)-4,5-dihydro-1H-imidazol-2-amine
CID 127013356
3-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-1-ol
CID 115601412
N-[2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)ethyl]acetamide
CID 164661243
1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine
CID 114401743
3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide
CID 115606290
N-hexyl-4,5-dihydro-1H-imidazol-2-amine
CID 71402010
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]cyclopentan-1-ol
CID 103207403
N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine
CID 22594256

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one (CID 142858674) is 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one is CC(=O)CNC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one?
The InChIKey is WRGGGXSNCMHQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(10)4-9-6-7-2-3-8-6/h2-4H2,1H3,(H2,7,8,9).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one?
1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one has a molecular weight of 141.17 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one is sourced from PubChem (CID 142858674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).