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

C12H13N3O — CID 84783969

IUPAC3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one
SMILESNC1(c2ccccc2-n2cc[nH]c2=O)CC1
InChIInChI=1S/C12H13N3O/c13-12(5-6-12)9-3-1-2-4-10(9)15-8-7-14-11(15)16/h1-4,7-8H,5-6,13H2,(H,14,16)
InChIKeyCPHLYXBDVHJBQG-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.11
Rot. Bonds2

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

3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one (PubChem CID 84783969) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one
PubChem CID84783969
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one
SMILESNC1(c2ccccc2-n2cc[nH]c2=O)CC1
InChIInChI=1S/C12H13N3O/c13-12(5-6-12)9-3-1-2-4-10(9)15-8-7-14-11(15)16/h1-4,7-8H,5-6,13H2,(H,14,16)
InChIKeyCPHLYXBDVHJBQG-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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one (CID 84783969) is 3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one is NC1(c2ccccc2-n2cc[nH]c2=O)CC1.
What is the InChIKey of 3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one?
The InChIKey is CPHLYXBDVHJBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(5-6-12)9-3-1-2-4-10(9)15-8-7-14-11(15)16/h1-4,7-8H,5-6,13H2,(H,14,16).
What are the key properties of 3-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one?
3-[2-(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-[2-(1-aminocyclopropyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 84783969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).