(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone

C17H21N3O2 — CID 86991463

IUPAC(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cn3ccnc3)cc2)CCO1
InChIInChI=1S/C17H21N3O2/c1-17(2)12-20(9-10-22-17)16(21)15-5-3-14(4-6-15)11-19-8-7-18-13-19/h3-8,13H,9-12H2,1-2H3
InChIKeyOCCJTYIMQMLVMI-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.18
Rot. Bonds3

About (2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone

(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone (PubChem CID 86991463) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
PubChem CID86991463
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cn3ccnc3)cc2)CCO1
InChIInChI=1S/C17H21N3O2/c1-17(2)12-20(9-10-22-17)16(21)15-5-3-14(4-6-15)11-19-8-7-18-13-19/h3-8,13H,9-12H2,1-2H3
InChIKeyOCCJTYIMQMLVMI-UHFFFAOYSA-N
XLogP2.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 94022564
[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121105751
[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165004
[4-(imidazol-1-ylmethyl)phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346774
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55719266
ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 43923306
(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113329851
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55719379
methyl 1-[4-(imidazol-1-ylmethyl)benzoyl]-4-phenylpiperidine-4-carboxylate
CID 55718655
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430913

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone (CID 86991463) is (2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone is CC1(C)CN(C(=O)c2ccc(Cn3ccnc3)cc2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The InChIKey is OCCJTYIMQMLVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2)12-20(9-10-22-17)16(21)15-5-3-14(4-6-15)11-19-8-7-18-13-19/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone has a molecular weight of 299.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 86991463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).