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

C15H16N2O2 — CID 80581341

IUPAC1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one
SMILESCc1ccccc1C(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C15H16N2O2/c1-11-4-2-3-5-13(11)14(18)10-16-8-9-17(15(16)19)12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyPYSGKEZYTMEDGD-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.18
Rot. Bonds4

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

1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one (PubChem CID 80581341) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one
PubChem CID80581341
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one
SMILESCc1ccccc1C(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C15H16N2O2/c1-11-4-2-3-5-13(11)14(18)10-16-8-9-17(15(16)19)12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyPYSGKEZYTMEDGD-UHFFFAOYSA-N
XLogP2.18
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-bromophenyl)-2-oxoethyl]-3-cyclopropylimidazol-2-one
CID 80581514
1-cyclopropyl-3-[2-(3-methylphenyl)-2-oxoethyl]imidazol-2-one
CID 80581515
1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581489
1-cyclopropyl-3-(2-oxo-3-phenylpropyl)imidazol-2-one
CID 80581344
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 62018988
1-cyclopropyl-3-(2-cyclopropyl-2-oxoethyl)imidazol-2-one
CID 80581537
N-(2-aminophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
CID 80579705
3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 79181540
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylimidazol-2-one
CID 80581218
1-[2-(2-methylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62024351
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
CID 62025083
1-cyclopropyl-3-[2-(methylaminomethyl)prop-2-enyl]imidazol-2-one
CID 103072802

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one (CID 80581341) is 1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one is Cc1ccccc1C(=O)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one?
The InChIKey is PYSGKEZYTMEDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-4-2-3-5-13(11)14(18)10-16-8-9-17(15(16)19)12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3.
What are the key properties of 1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one?
1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one has a molecular weight of 256.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one is sourced from PubChem (CID 80581341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).