2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole

C11H17ClN2 — CID 106798396

IUPAC2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
SMILESCC(Cl)C1(CCc2nccn2C)CC1
InChIInChI=1S/C11H17ClN2/c1-9(12)11(5-6-11)4-3-10-13-7-8-14(10)2/h7-9H,3-6H2,1-2H3
InChIKeyOWKIKTXRDAWMSP-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.76
Rot. Bonds4

About 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole

2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole (PubChem CID 106798396) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
PubChem CID106798396
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
SMILESCC(Cl)C1(CCc2nccn2C)CC1
InChIInChI=1S/C11H17ClN2/c1-9(12)11(5-6-11)4-3-10-13-7-8-14(10)2/h7-9H,3-6H2,1-2H3
InChIKeyOWKIKTXRDAWMSP-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole 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

N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
CID 114529236
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529797
1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820564
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol
CID 114529819
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
CID 114528845

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole?
The IUPAC name of 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole (CID 106798396) is 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole is CC(Cl)C1(CCc2nccn2C)CC1.
What is the InChIKey of 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole?
The InChIKey is OWKIKTXRDAWMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9(12)11(5-6-11)4-3-10-13-7-8-14(10)2/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole?
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole has a molecular weight of 212.72 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole is sourced from PubChem (CID 106798396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).