6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole

C14H18Cl2N2 — CID 115471463

IUPAC6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(CCCl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18Cl2N2/c1-3-10(2)9-18-13-8-11(16)4-5-12(13)17-14(18)6-7-15/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyNIIJOKYUWVFRMR-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.52
Rot. Bonds5

About 6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole

6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole (PubChem CID 115471463) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
PubChem CID115471463
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(CCCl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18Cl2N2/c1-3-10(2)9-18-13-8-11(16)4-5-12(13)17-14(18)6-7-15/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyNIIJOKYUWVFRMR-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.52
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

6-chloro-2-(2-chloroethyl)-1-(3-methylbutyl)benzimidazole
CID 113316238
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
2-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanamine
CID 46310938
6-chloro-2-(2-chloroethyl)-1-(4-methylpentyl)benzimidazole
CID 113316360
6-chloro-2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]benzimidazole
CID 106005408
2-(2-chloroethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906987
5-chloro-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817122
3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113316610
6-chloro-2-(2-chloroethyl)-1-(4-methylpentan-2-yl)benzimidazole
CID 113316284
6-chloro-2-(2-chloroethyl)-1-(cyclopentylmethyl)benzimidazole
CID 115471068
6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 115470803
6-chloro-2-(chloromethyl)-1-(2-methylsulfinylpropyl)benzimidazole
CID 113484388

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole?
The IUPAC name of 6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole (CID 115471463) is 6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole?
The canonical SMILES for 6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole is CCC(C)Cn1c(CCCl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole?
The InChIKey is NIIJOKYUWVFRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-3-10(2)9-18-13-8-11(16)4-5-12(13)17-14(18)6-7-15/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of 6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole?
6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole has a molecular weight of 285.22 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole is sourced from PubChem (CID 115471463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).