1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone

C17H23N3O3 — CID 691879

IUPAC1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1
InChIInChI=1S/C17H23N3O3/c1-14-2-4-15(5-3-14)17(22)20-7-6-19(13-20)16(21)12-18-8-10-23-11-9-18/h2-5H,6-13H2,1H3
InChIKeySLTJCXYTLWEKPY-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.57
Rot. Bonds3

About 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone

1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 691879) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID691879
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1
InChIInChI=1S/C17H23N3O3/c1-14-2-4-15(5-3-14)17(22)20-7-6-19(13-20)16(21)12-18-8-10-23-11-9-18/h2-5H,6-13H2,1H3
InChIKeySLTJCXYTLWEKPY-UHFFFAOYSA-N
XLogP0.57
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone (CID 691879) is 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone is Cc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1.
What is the InChIKey of 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is SLTJCXYTLWEKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-14-2-4-15(5-3-14)17(22)20-7-6-19(13-20)16(21)12-18-8-10-23-11-9-18/h2-5H,6-13H2,1H3.
What are the key properties of 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 317.39 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 691879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).