[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone

C11H16BrN3O2 — CID 107975433

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(C)cn2)CC(CBr)O1
InChIInChI=1S/C11H16BrN3O2/c1-8-4-15(5-9(3-12)17-8)11(16)10-6-14(2)7-13-10/h6-9H,3-5H2,1-2H3
InChIKeyIWHBDXABLRSYDC-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.04
Rot. Bonds2

About [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 107975433) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID107975433
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(C)cn2)CC(CBr)O1
InChIInChI=1S/C11H16BrN3O2/c1-8-4-15(5-9(3-12)17-8)11(16)10-6-14(2)7-13-10/h6-9H,3-5H2,1-2H3
InChIKeyIWHBDXABLRSYDC-UHFFFAOYSA-N
XLogP1.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[8-(Cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methylimidazol-4-yl)methanone
CID 118744603
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 172434035
N-(sec-butyl)-5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 53167789
N-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 53167793
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl(piperidin-1-yl)methanone
CID 53167816
N-butyl-N-methyl-5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 86771521
1-[2-(morpholine-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 134789291
methyl 2-(morpholine-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 134791087
ethyl 2-[(3S)-4-(3-methylimidazole-4-carbonyl)morpholin-3-yl]acetate
CID 28374793
N-[trans-3-ethoxytetrahydro-2H-pyran-4-yl]-1-methyl-1H-imidazole-5-carboxamide
CID 91797828
3-methyl-N-[(2S)-2-morpholin-4-ylbutyl]imidazole-4-carboxamide
CID 125439867
(2,3-dimethylimidazol-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261842

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone (CID 107975433) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone is CC1CN(C(=O)c2cn(C)cn2)CC(CBr)O1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is IWHBDXABLRSYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-8-4-15(5-9(3-12)17-8)11(16)10-6-14(2)7-13-10/h6-9H,3-5H2,1-2H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 302.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 107975433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).