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

C13H15N3O — CID 117330730

IUPAC3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one
SMILESNC1(Cc2cccc(-n3cc[nH]c3=O)c2)CC1
InChIInChI=1S/C13H15N3O/c14-13(4-5-13)9-10-2-1-3-11(8-10)16-7-6-15-12(16)17/h1-3,6-8H,4-5,9,14H2,(H,15,17)
InChIKeyXUGKLLDNOWRRLT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.20
Rot. Bonds3

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

3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one (PubChem CID 117330730) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one
PubChem CID117330730
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one
SMILESNC1(Cc2cccc(-n3cc[nH]c3=O)c2)CC1
InChIInChI=1S/C13H15N3O/c14-13(4-5-13)9-10-2-1-3-11(8-10)16-7-6-15-12(16)17/h1-3,6-8H,4-5,9,14H2,(H,15,17)
InChIKeyXUGKLLDNOWRRLT-UHFFFAOYSA-N
XLogP1.20
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one (CID 117330730) is 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one is NC1(Cc2cccc(-n3cc[nH]c3=O)c2)CC1.
What is the InChIKey of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one?
The InChIKey is XUGKLLDNOWRRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-13(4-5-13)9-10-2-1-3-11(8-10)16-7-6-15-12(16)17/h1-3,6-8H,4-5,9,14H2,(H,15,17).
What are the key properties of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one?
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 117330730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).