2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine

C11H18ClN3O — CID 79664752

IUPAC2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2ncc(CCl)[nH]2)C1
InChIInChI=1S/C11H18ClN3O/c1-8(2)15-3-4-16-10(7-15)11-13-6-9(5-12)14-11/h6,8,10H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyGCEZJIYCDOGRMD-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.93
Rot. Bonds3

About 2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine

2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine (PubChem CID 79664752) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine
PubChem CID79664752
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2ncc(CCl)[nH]2)C1
InChIInChI=1S/C11H18ClN3O/c1-8(2)15-3-4-16-10(7-15)11-13-6-9(5-12)14-11/h6,8,10H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyGCEZJIYCDOGRMD-UHFFFAOYSA-N
XLogP1.93
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476289
4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine
CID 170366672
2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carbaldehyde
CID 79665806
[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine
CID 79657962
3-[6-[(2S)-4-propan-2-ylmorpholin-2-yl]-3-pyridinyl]propanamide
CID 95838639
4-(4-propan-2-ylmorpholin-2-yl)-1,3,5-triazin-2-amine
CID 79663164
4-propan-2-yl-2-pyridin-4-ylmorpholine
CID 176665996
2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine
CID 79657822
4-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-5-amine
CID 114207025
(1S)-1-[4-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-5-yl]ethanamine
CID 103431910
1-[2-[4-(cyclohexylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
CID 110117065
N-[2-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 110117072

Frequently Asked Questions

What is the IUPAC name of 2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine (CID 79664752) is 2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(c2ncc(CCl)[nH]2)C1.
What is the InChIKey of 2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine?
The InChIKey is GCEZJIYCDOGRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8(2)15-3-4-16-10(7-15)11-13-6-9(5-12)14-11/h6,8,10H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine?
2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine has a molecular weight of 243.74 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 79664752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).