1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one

C14H18N2O2 — CID 4621102

IUPAC1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H18N2O2/c1-3-13(17)15-8-9-16(10-15)14(18)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyFZPBRIGLFBGWNQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.65
Rot. Bonds2

About 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one

1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one (PubChem CID 4621102) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one
PubChem CID4621102
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H18N2O2/c1-3-13(17)15-8-9-16(10-15)14(18)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyFZPBRIGLFBGWNQ-UHFFFAOYSA-N
XLogP1.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one (CID 4621102) is 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one?
The InChIKey is FZPBRIGLFBGWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-13(17)15-8-9-16(10-15)14(18)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one?
1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one has a molecular weight of 246.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]propan-1-one is sourced from PubChem (CID 4621102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).