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

C15H18N2O — CID 59019853

IUPAC1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one
SMILESCc1ccc(C2(Cn3ccn(C)c3=O)CC2)cc1
InChIInChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)15(7-8-15)11-17-10-9-16(2)14(17)18/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyFAPCWAGZKUFKLY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.23
Rot. Bonds3

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

1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one (PubChem CID 59019853) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one
PubChem CID59019853
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one
SMILESCc1ccc(C2(Cn3ccn(C)c3=O)CC2)cc1
InChIInChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)15(7-8-15)11-17-10-9-16(2)14(17)18/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyFAPCWAGZKUFKLY-UHFFFAOYSA-N
XLogP2.23
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one (CID 59019853) is 1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one is Cc1ccc(C2(Cn3ccn(C)c3=O)CC2)cc1.
What is the InChIKey of 1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one?
The InChIKey is FAPCWAGZKUFKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)15(7-8-15)11-17-10-9-16(2)14(17)18/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one?
1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]imidazol-2-one is sourced from PubChem (CID 59019853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).