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

C15H18N2O — CID 116625498

IUPAC1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one
SMILESCc1ccc(Cn2ccn(C3CC3)c2=O)cc1C
InChIInChI=1S/C15H18N2O/c1-11-3-4-13(9-12(11)2)10-16-7-8-17(15(16)18)14-5-6-14/h3-4,7-9,14H,5-6,10H2,1-2H3
InChIKeyDGZBYFZACKHZCF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.65
Rot. Bonds3

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

1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one (PubChem CID 116625498) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one
PubChem CID116625498
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one
SMILESCc1ccc(Cn2ccn(C3CC3)c2=O)cc1C
InChIInChI=1S/C15H18N2O/c1-11-3-4-13(9-12(11)2)10-16-7-8-17(15(16)18)14-5-6-14/h3-4,7-9,14H,5-6,10H2,1-2H3
InChIKeyDGZBYFZACKHZCF-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one (CID 116625498) is 1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one is Cc1ccc(Cn2ccn(C3CC3)c2=O)cc1C.
What is the InChIKey of 1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one?
The InChIKey is DGZBYFZACKHZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-3-4-13(9-12(11)2)10-16-7-8-17(15(16)18)14-5-6-14/h3-4,7-9,14H,5-6,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one?
1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]imidazol-2-one is sourced from PubChem (CID 116625498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).