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

C12H14Cl2N2 — CID 115470827

IUPAC6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C12H14Cl2N2/c1-8(2)7-16-11-5-9(14)3-4-10(11)15-12(16)6-13/h3-5,8H,6-7H2,1-2H3
InChIKeyWSEPZETWEVWVFB-UHFFFAOYSA-N
MW257.16 g/mol
LogP4.08
Rot. Bonds3

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

6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole (PubChem CID 115470827) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
PubChem CID115470827
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC Name6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C12H14Cl2N2/c1-8(2)7-16-11-5-9(14)3-4-10(11)15-12(16)6-13/h3-5,8H,6-7H2,1-2H3
InChIKeyWSEPZETWEVWVFB-UHFFFAOYSA-N
XLogP4.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 54.08
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

2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
CID 46310938
6-chloro-2-(chloromethyl)-1-(2-methylsulfinylpropyl)benzimidazole
CID 113484388
6-bromo-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 65345262
6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 115471463
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
CID 46310887
6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 115471116
6-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310916
2-(chloromethyl)-1-(2,3-dimethylbutyl)-6-fluorobenzimidazole
CID 64596575
1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 113316328
2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906911
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole (CID 115470827) is 6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole is CC(C)Cn1c(CCl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole?
The InChIKey is WSEPZETWEVWVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2/c1-8(2)7-16-11-5-9(14)3-4-10(11)15-12(16)6-13/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole?
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole has a molecular weight of 257.16 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 115470827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).