6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole

C12H14BrClN2 — CID 65345262

IUPAC6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C12H14BrClN2/c1-8(2)7-16-11-5-9(13)3-4-10(11)15-12(16)6-14/h3-5,8H,6-7H2,1-2H3
InChIKeyWZAUGLZNRVKPTG-UHFFFAOYSA-N
MW301.62 g/mol
LogP4.19
Rot. Bonds3

About 6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole

6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole (PubChem CID 65345262) has the molecular formula C12H14BrClN2 and a molecular weight of 301.62 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
PubChem CID65345262
Molecular FormulaC12H14BrClN2
Molecular Weight301.62 g/mol
Exact Mass300.00
IUPAC Name6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C12H14BrClN2/c1-8(2)7-16-11-5-9(13)3-4-10(11)15-12(16)6-14/h3-5,8H,6-7H2,1-2H3
InChIKeyWZAUGLZNRVKPTG-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 54.19
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

5-bromo-2-(chloromethyl)-1-(2,3-dimethylbutyl)benzimidazole
CID 64597396
6-bromo-2-(chloromethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 65346146
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
6-bromo-2-(chloromethyl)-1-(2-methyl-2-methylsulfanylpropyl)benzimidazole
CID 113479176
6-bromo-2-(chloromethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 65346159
2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole
CID 64596575
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
CID 65345086
2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906911
[6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol
CID 22349334
6-bromo-1-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)benzimidazole
CID 65346716
6-bromo-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 65346287
5-bromo-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
CID 115326558

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole (CID 65345262) is 6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole is CC(C)Cn1c(CCl)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole?
The InChIKey is WZAUGLZNRVKPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2/c1-8(2)7-16-11-5-9(13)3-4-10(11)15-12(16)6-14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole?
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole has a molecular weight of 301.62 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 65345262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).