3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one

C14H16N2O — CID 59019777

IUPAC3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one
SMILESCc1ccc(C2(Cn3cc[nH]c3=O)CC2)cc1
InChIInChI=1S/C14H16N2O/c1-11-2-4-12(5-3-11)14(6-7-14)10-16-9-8-15-13(16)17/h2-5,8-9H,6-7,10H2,1H3,(H,15,17)
InChIKeyOKPZWMPKBWIREE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.22
Rot. Bonds3

About 3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one

3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one (PubChem CID 59019777) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one
PubChem CID59019777
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one
SMILESCc1ccc(C2(Cn3cc[nH]c3=O)CC2)cc1
InChIInChI=1S/C14H16N2O/c1-11-2-4-12(5-3-11)14(6-7-14)10-16-9-8-15-13(16)17/h2-5,8-9H,6-7,10H2,1H3,(H,15,17)
InChIKeyOKPZWMPKBWIREE-UHFFFAOYSA-N
XLogP2.22
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one?
The IUPAC name of 3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one (CID 59019777) is 3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one is Cc1ccc(C2(Cn3cc[nH]c3=O)CC2)cc1.
What is the InChIKey of 3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one?
The InChIKey is OKPZWMPKBWIREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-2-4-12(5-3-11)14(6-7-14)10-16-9-8-15-13(16)17/h2-5,8-9H,6-7,10H2,1H3,(H,15,17).
What are the key properties of 3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one?
3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methylphenyl)cyclopropyl]methyl]-1H-imidazol-2-one is sourced from PubChem (CID 59019777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).