2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole

C14H21ClN2O — CID 114532782

IUPAC2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole
SMILESCn1ccnc1CCC1(CCl)CCOC1C1CC1
InChIInChI=1S/C14H21ClN2O/c1-17-8-7-16-12(17)4-5-14(10-15)6-9-18-13(14)11-2-3-11/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyPLXCDFIVIGECIH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.78
Rot. Bonds5

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

2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole (PubChem CID 114532782) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole
PubChem CID114532782
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole
SMILESCn1ccnc1CCC1(CCl)CCOC1C1CC1
InChIInChI=1S/C14H21ClN2O/c1-17-8-7-16-12(17)4-5-14(10-15)6-9-18-13(14)11-2-3-11/h7-8,11,13H,2-6,9-10H2,1H3
InChIKeyPLXCDFIVIGECIH-UHFFFAOYSA-N
XLogP2.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]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

2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535136
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
2-methyl-3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]oxolan-3-ol
CID 106101046
2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
CID 79743877
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
CID 106798396
N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 103014837
3-(chloromethyl)-2-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]oxolane
CID 104510563
4-[[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-ethylpyrazole
CID 113420937
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533271
3-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114532157
1-methyl-2-[2-(oxiran-2-yl)ethyl]imidazole
CID 115410560
1-(1-methylimidazol-2-yl)-5-(oxolan-2-yl)pentan-3-one
CID 115811846

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole?
The IUPAC name of 2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole (CID 114532782) is 2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole is Cn1ccnc1CCC1(CCl)CCOC1C1CC1.
What is the InChIKey of 2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole?
The InChIKey is PLXCDFIVIGECIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17-8-7-16-12(17)4-5-14(10-15)6-9-18-13(14)11-2-3-11/h7-8,11,13H,2-6,9-10H2,1H3.
What are the key properties of 2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole?
2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole has a molecular weight of 268.79 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole is sourced from PubChem (CID 114532782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).