3-cyclopropyl-4-phenyl-1H-imidazol-2-one

C12H12N2O — CID 57455732

IUPAC3-cyclopropyl-4-phenyl-1H-imidazol-2-one
SMILESO=c1[nH]cc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C12H12N2O/c15-12-13-8-11(14(12)10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,15)
InChIKeyWERBQUQWCAMPFQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.18
Rot. Bonds2

About 3-cyclopropyl-4-phenyl-1H-imidazol-2-one

3-cyclopropyl-4-phenyl-1H-imidazol-2-one (PubChem CID 57455732) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-cyclopropyl-4-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-4-phenyl-1H-imidazol-2-one
PubChem CID57455732
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-cyclopropyl-4-phenyl-1H-imidazol-2-one
SMILESO=c1[nH]cc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C12H12N2O/c15-12-13-8-11(14(12)10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,15)
InChIKeyWERBQUQWCAMPFQ-UHFFFAOYSA-N
XLogP2.18
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-cyclopropyl-4-phenyl-1H-imidazol-2-one (CID 57455732) is 3-cyclopropyl-4-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-cyclopropyl-4-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-cyclopropyl-4-phenyl-1H-imidazol-2-one is O=c1[nH]cc(-c2ccccc2)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-phenyl-1H-imidazol-2-one?
The InChIKey is WERBQUQWCAMPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-13-8-11(14(12)10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,15).
What are the key properties of 3-cyclopropyl-4-phenyl-1H-imidazol-2-one?
3-cyclopropyl-4-phenyl-1H-imidazol-2-one has a molecular weight of 200.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 57455732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).