3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one

C12H13N3O — CID 84783968

IUPAC3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one
SMILESNC1(c2cccc(-n3cc[nH]c3=O)c2)CC1
InChIInChI=1S/C12H13N3O/c13-12(4-5-12)9-2-1-3-10(8-9)15-7-6-14-11(15)16/h1-3,6-8H,4-5,13H2,(H,14,16)
InChIKeyRGMCCLYHMGDKQE-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.11
Rot. Bonds2

About 3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one

3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one (PubChem CID 84783968) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one
PubChem CID84783968
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one
SMILESNC1(c2cccc(-n3cc[nH]c3=O)c2)CC1
InChIInChI=1S/C12H13N3O/c13-12(4-5-12)9-2-1-3-10(8-9)15-7-6-14-11(15)16/h1-3,6-8H,4-5,13H2,(H,14,16)
InChIKeyRGMCCLYHMGDKQE-UHFFFAOYSA-N
XLogP1.11
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(1-aminocyclopropyl)phenyl]-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-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one (CID 84783968) is 3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one is NC1(c2cccc(-n3cc[nH]c3=O)c2)CC1.
What is the InChIKey of 3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one?
The InChIKey is RGMCCLYHMGDKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(4-5-12)9-2-1-3-10(8-9)15-7-6-14-11(15)16/h1-3,6-8H,4-5,13H2,(H,14,16).
What are the key properties of 3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one?
3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 84783968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).