2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole

C11H15ClN2 — CID 114532213

IUPAC2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole
SMILESCn1ccnc1CCC1=CC(Cl)CC1
InChIInChI=1S/C11H15ClN2/c1-14-7-6-13-11(14)5-3-9-2-4-10(12)8-9/h6-8,10H,2-5H2,1H3
InChIKeySFYLDBGJDQIGDI-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.68
Rot. Bonds3

About 2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole

2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole (PubChem CID 114532213) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole
PubChem CID114532213
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole
SMILESCn1ccnc1CCC1=CC(Cl)CC1
InChIInChI=1S/C11H15ClN2/c1-14-7-6-13-11(14)5-3-9-2-4-10(12)8-9/h6-8,10H,2-5H2,1H3
InChIKeySFYLDBGJDQIGDI-UHFFFAOYSA-N
XLogP2.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorocyclopenten-1-yl)-1-methylimidazole
CID 65176594
2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
CID 114531139
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
CID 115410560
3-[(3-chlorocyclopenten-1-yl)methyl]-1-methylpyrazole
CID 82871223
2-[2-(2-chloro-5-methylcyclohexyl)ethyl]-1-methylimidazole
CID 114531144
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 114531771
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
azane;1-methyl-2-propylimidazole
CID 174525892
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
2-[2-(4-chlorothiolan-3-yl)ethyl]-1-methylimidazole
CID 114531168
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole?
The IUPAC name of 2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole (CID 114532213) is 2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole is Cn1ccnc1CCC1=CC(Cl)CC1.
What is the InChIKey of 2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole?
The InChIKey is SFYLDBGJDQIGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14-7-6-13-11(14)5-3-9-2-4-10(12)8-9/h6-8,10H,2-5H2,1H3.
What are the key properties of 2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole?
2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole has a molecular weight of 210.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorocyclopenten-1-yl)ethyl]-1-methylimidazole is sourced from PubChem (CID 114532213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).