3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one

C14H17N3O — CID 117360233

IUPAC3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccccc1CC1(N)CC1
InChIInChI=1S/C14H17N3O/c1-10-9-16-13(18)17(10)12-5-3-2-4-11(12)8-14(15)6-7-14/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyADXUDBHPNQGNCZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.51
Rot. Bonds3

About 3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one

3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one (PubChem CID 117360233) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one
PubChem CID117360233
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccccc1CC1(N)CC1
InChIInChI=1S/C14H17N3O/c1-10-9-16-13(18)17(10)12-5-3-2-4-11(12)8-14(15)6-7-14/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyADXUDBHPNQGNCZ-UHFFFAOYSA-N
XLogP1.51
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.51
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)methyl]phenyl]-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one (CID 117360233) is 3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one is Cc1c[nH]c(=O)n1-c1ccccc1CC1(N)CC1.
What is the InChIKey of 3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one?
The InChIKey is ADXUDBHPNQGNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-9-16-13(18)17(10)12-5-3-2-4-11(12)8-14(15)6-7-14/h2-5,9H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one?
3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 117360233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).