1-[2-(bromomethyl)pentyl]-2-methylimidazole

C10H17BrN2 — CID 65011203

IUPAC1-[2-(bromomethyl)pentyl]-2-methylimidazole
SMILESCCCC(CBr)Cn1ccnc1C
InChIInChI=1S/C10H17BrN2/c1-3-4-10(7-11)8-13-6-5-12-9(13)2/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyWWVMSVDBPBTMBI-UHFFFAOYSA-N
MW245.16 g/mol
LogP3.00
Rot. Bonds5

About 1-[2-(bromomethyl)pentyl]-2-methylimidazole

1-[2-(bromomethyl)pentyl]-2-methylimidazole (PubChem CID 65011203) has the molecular formula C10H17BrN2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 1-[2-(bromomethyl)pentyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[2-(bromomethyl)pentyl]-2-methylimidazole
PubChem CID65011203
Molecular FormulaC10H17BrN2
Molecular Weight245.16 g/mol
Exact Mass244.06
IUPAC Name1-[2-(bromomethyl)pentyl]-2-methylimidazole
SMILESCCCC(CBr)Cn1ccnc1C
InChIInChI=1S/C10H17BrN2/c1-3-4-10(7-11)8-13-6-5-12-9(13)2/h5-6,10H,3-4,7-8H2,1-2H3
InChIKeyWWVMSVDBPBTMBI-UHFFFAOYSA-N
XLogP3.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)pentyl]-2-methylimidazole?
The IUPAC name of 1-[2-(bromomethyl)pentyl]-2-methylimidazole (CID 65011203) is 1-[2-(bromomethyl)pentyl]-2-methylimidazole.
What is the SMILES notation for 1-[2-(bromomethyl)pentyl]-2-methylimidazole?
The canonical SMILES for 1-[2-(bromomethyl)pentyl]-2-methylimidazole is CCCC(CBr)Cn1ccnc1C.
What is the InChIKey of 1-[2-(bromomethyl)pentyl]-2-methylimidazole?
The InChIKey is WWVMSVDBPBTMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2/c1-3-4-10(7-11)8-13-6-5-12-9(13)2/h5-6,10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)pentyl]-2-methylimidazole?
1-[2-(bromomethyl)pentyl]-2-methylimidazole has a molecular weight of 245.16 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)pentyl]-2-methylimidazole is sourced from PubChem (CID 65011203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).