2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole

C12H19BrN2 — CID 114532734

IUPAC2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
SMILESCn1ccnc1CCC1(CBr)CCCC1
InChIInChI=1S/C12H19BrN2/c1-15-9-8-14-11(15)4-7-12(10-13)5-2-3-6-12/h8-9H,2-7,10H2,1H3
InChIKeySRCWYYJFWLJQLO-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.31
Rot. Bonds4

About 2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole

2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole (PubChem CID 114532734) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
PubChem CID114532734
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
SMILESCn1ccnc1CCC1(CBr)CCCC1
InChIInChI=1S/C12H19BrN2/c1-15-9-8-14-11(15)4-7-12(10-13)5-2-3-6-12/h8-9H,2-7,10H2,1H3
InChIKeySRCWYYJFWLJQLO-UHFFFAOYSA-N
XLogP3.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.31
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

N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114533123
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]-1-methylimidazole
CID 106798396
8,8-dimethyl-9-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 114532378
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
1-[[1-(bromomethyl)cycloheptyl]methyl]-2-propylimidazole
CID 65010298
3-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114532157
2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole
CID 114532872
3,3-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-ol
CID 114529236

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole?
The IUPAC name of 2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole (CID 114532734) is 2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole is Cn1ccnc1CCC1(CBr)CCCC1.
What is the InChIKey of 2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole?
The InChIKey is SRCWYYJFWLJQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-15-9-8-14-11(15)4-7-12(10-13)5-2-3-6-12/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole?
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole has a molecular weight of 271.20 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole is sourced from PubChem (CID 114532734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).