(3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone

C12H19N3O2 — CID 100685892

IUPAC(3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2c(C)ncn2C)CCO1
InChIInChI=1S/C12H19N3O2/c1-4-10-7-15(5-6-17-10)12(16)11-9(2)13-8-14(11)3/h8,10H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyCXEMLIATHDEFDA-SNVBAGLBSA-N
MW237.30 g/mol
LogP0.98
Rot. Bonds2

About (3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone

(3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone (PubChem CID 100685892) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
PubChem CID100685892
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
SMILESCC[C@@H]1CN(C(=O)c2c(C)ncn2C)CCO1
InChIInChI=1S/C12H19N3O2/c1-4-10-7-15(5-6-17-10)12(16)11-9(2)13-8-14(11)3/h8,10H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyCXEMLIATHDEFDA-SNVBAGLBSA-N
XLogP0.98
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-methylpyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 65354771
(6-chloropyridazin-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 60857887
(5-amino-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 81317078
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid
CID 113432240
2-ethylmorpholine-4-carboxylic acid
CID 121455686
(2-ethylmorpholin-4-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 62243410
[6-(ethylamino)pyridazin-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 62168371
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 103511375
(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 114193900

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone?
The IUPAC name of (3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone (CID 100685892) is (3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone?
The canonical SMILES for (3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone is CC[C@@H]1CN(C(=O)c2c(C)ncn2C)CCO1.
What is the InChIKey of (3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone?
The InChIKey is CXEMLIATHDEFDA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-10-7-15(5-6-17-10)12(16)11-9(2)13-8-14(11)3/h8,10H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of (3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone?
(3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone has a molecular weight of 237.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylimidazol-4-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone is sourced from PubChem (CID 100685892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).