5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole

C11H19ClN2 — CID 66151469

IUPAC5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole
SMILESCCC(CC)C(C)n1cncc1CCl
InChIInChI=1S/C11H19ClN2/c1-4-10(5-2)9(3)14-8-13-7-11(14)6-12/h7-10H,4-6H2,1-3H3
InChIKeyARMAUKQHWAIUJX-UHFFFAOYSA-N
MW214.74 g/mol
LogP3.62
Rot. Bonds5

About 5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole

5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole (PubChem CID 66151469) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole
PubChem CID66151469
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole
SMILESCCC(CC)C(C)n1cncc1CCl
InChIInChI=1S/C11H19ClN2/c1-4-10(5-2)9(3)14-8-13-7-11(14)6-12/h7-10H,4-6H2,1-3H3
InChIKeyARMAUKQHWAIUJX-UHFFFAOYSA-N
XLogP3.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-1-(3-methylpentan-2-yl)imidazole
CID 66149787
5-(chloromethyl)-1-(1-methylsulfonylpropan-2-yl)imidazole
CID 66149591
5-(chloromethyl)-1-[1-(4-methylphenyl)ethyl]imidazole
CID 66152074
5-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole
CID 66149183
3-[1-[5-(chloromethyl)imidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
CID 66151462
1-propan-2-yl-5-propylimidazole
CID 139308338
5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole
CID 66149387
2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148404
N-methyl-1-[3-(2-methylpentan-3-yl)imidazol-4-yl]methanamine
CID 66148631
5-(chloromethyl)-1-decylimidazole
CID 18670803
5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole
CID 59650396
1-methyl-5-[(2S)-2-methylbutyl]imidazole
CID 89173757

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole?
The IUPAC name of 5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole (CID 66151469) is 5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole?
The canonical SMILES for 5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole is CCC(CC)C(C)n1cncc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole?
The InChIKey is ARMAUKQHWAIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2/c1-4-10(5-2)9(3)14-8-13-7-11(14)6-12/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole?
5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole has a molecular weight of 214.74 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(3-ethylpentan-2-yl)imidazole is sourced from PubChem (CID 66151469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).