2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone

C11H17N3O2 — CID 115616713

IUPAC2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESCc1ncn(CC(=O)N2CCOCC2)c1C
InChIInChI=1S/C11H17N3O2/c1-9-10(2)14(8-12-9)7-11(15)13-3-5-16-6-4-13/h8H,3-7H2,1-2H3
InChIKeyKZLSMXRFOHRLPO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.36
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone

2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 115616713) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID115616713
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESCc1ncn(CC(=O)N2CCOCC2)c1C
InChIInChI=1S/C11H17N3O2/c1-9-10(2)14(8-12-9)7-11(15)13-3-5-16-6-4-13/h8H,3-7H2,1-2H3
InChIKeyKZLSMXRFOHRLPO-UHFFFAOYSA-N
XLogP0.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
CID 115944330
1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile
CID 112595685
3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
CID 51280170
2-(2-aminoimidazol-1-yl)-1-morpholin-4-ylethanone
CID 165481917
5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309620
5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one
CID 53004435
5-(4-fluorophenyl)-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
CID 1088936
2-(4,5-dimethylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
CID 72862494
1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243598
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-morpholin-4-ylethanone
CID 749623
6-(4-chlorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 30935738
2-methyl-1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4-sulfonyl chloride
CID 82913158

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone (CID 115616713) is 2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone is Cc1ncn(CC(=O)N2CCOCC2)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is KZLSMXRFOHRLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-10(2)14(8-12-9)7-11(15)13-3-5-16-6-4-13/h8H,3-7H2,1-2H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone?
2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 223.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 115616713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).