1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one

C14H18N2O — CID 159085099

IUPAC1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one
SMILESCCn1ccn(-c2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C14H18N2O/c1-4-15-9-10-16(14(15)17)13-7-5-12(6-8-13)11(2)3/h5-11H,4H2,1-3H3
InChIKeyKWINMKBQPZFUAW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.78
Rot. Bonds3

About 1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one

1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one (PubChem CID 159085099) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one
PubChem CID159085099
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one
SMILESCCn1ccn(-c2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C14H18N2O/c1-4-15-9-10-16(14(15)17)13-7-5-12(6-8-13)11(2)3/h5-11H,4H2,1-3H3
InChIKeyKWINMKBQPZFUAW-UHFFFAOYSA-N
XLogP2.78
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one (CID 159085099) is 1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one is CCn1ccn(-c2ccc(C(C)C)cc2)c1=O.
What is the InChIKey of 1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one?
The InChIKey is KWINMKBQPZFUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-15-9-10-16(14(15)17)13-7-5-12(6-8-13)11(2)3/h5-11H,4H2,1-3H3.
What are the key properties of 1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one?
1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-propan-2-ylphenyl)imidazol-2-one is sourced from PubChem (CID 159085099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).