[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone

C17H19N3O3 — CID 2998573

IUPAC[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2C(=O)c2ncc[nH]2)CC(C)O1
InChIInChI=1S/C17H19N3O3/c1-11-9-20(10-12(2)23-11)17(22)14-6-4-3-5-13(14)15(21)16-18-7-8-19-16/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)
InChIKeyLDNSQXWWNOUSSN-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.89
Rot. Bonds3

About [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone

[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone (PubChem CID 2998573) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone
PubChem CID2998573
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone
SMILESCC1CN(C(=O)c2ccccc2C(=O)c2ncc[nH]2)CC(C)O1
InChIInChI=1S/C17H19N3O3/c1-11-9-20(10-12(2)23-11)17(22)14-6-4-3-5-13(14)15(21)16-18-7-8-19-16/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)
InChIKeyLDNSQXWWNOUSSN-UHFFFAOYSA-N
XLogP1.89
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone?
The IUPAC name of [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone (CID 2998573) is [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone?
The canonical SMILES for [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone is CC1CN(C(=O)c2ccccc2C(=O)c2ncc[nH]2)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone?
The InChIKey is LDNSQXWWNOUSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-9-20(10-12(2)23-11)17(22)14-6-4-3-5-13(14)15(21)16-18-7-8-19-16/h3-8,11-12H,9-10H2,1-2H3,(H,18,19).
What are the key properties of [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone?
[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 2998573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).