2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine

C9H16ClN3 — CID 66149177

IUPAC2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCn1cncc1CCl
InChIInChI=1S/C9H16ClN3/c1-3-12(2)4-5-13-8-11-7-9(13)6-10/h7-8H,3-6H2,1-2H3
InChIKeyATTJJDXYJNOMNL-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.57
Rot. Bonds5

About 2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine

2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine (PubChem CID 66149177) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine
PubChem CID66149177
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine
SMILESCCN(C)CCn1cncc1CCl
InChIInChI=1S/C9H16ClN3/c1-3-12(2)4-5-13-8-11-7-9(13)6-10/h7-8H,3-6H2,1-2H3
InChIKeyATTJJDXYJNOMNL-UHFFFAOYSA-N
XLogP1.57
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyl-2-[5-(methylaminomethyl)imidazol-1-yl]ethanamine
CID 66149923
5-(chloromethyl)-1-decylimidazole
CID 18670803
5-(chloromethyl)-1-(3-fluoropropyl)imidazole
CID 130504730
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride
CID 18670849
3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine
CID 66152277
3-[5-(chloromethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150216
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole
CID 66149387
ethyl 4-[5-(chloromethyl)imidazol-1-yl]butanoate;hydrochloride
CID 174382996
N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 66150137
5-(chloromethyl)-1-[2-(3,5-difluorophenyl)ethyl]imidazole
CID 66149176

Frequently Asked Questions

What is the IUPAC name of 2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine?
The IUPAC name of 2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine (CID 66149177) is 2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine is CCN(C)CCn1cncc1CCl.
What is the InChIKey of 2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine?
The InChIKey is ATTJJDXYJNOMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3/c1-3-12(2)4-5-13-8-11-7-9(13)6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine?
2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine has a molecular weight of 201.70 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine is sourced from PubChem (CID 66149177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).