6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole

C14H18BrClN2 — CID 65344548

IUPAC6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole
SMILESCCC(C)(C)n1c(CCCl)nc2ccc(Br)cc21
InChIInChI=1S/C14H18BrClN2/c1-4-14(2,3)18-12-9-10(15)5-6-11(12)17-13(18)7-8-16/h5-6,9H,4,7-8H2,1-3H3
InChIKeyRIBWIVCNDIEOOY-UHFFFAOYSA-N
MW329.67 g/mol
LogP4.73
Rot. Bonds4

About 6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole

6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole (PubChem CID 65344548) has the molecular formula C14H18BrClN2 and a molecular weight of 329.67 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole
PubChem CID65344548
Molecular FormulaC14H18BrClN2
Molecular Weight329.67 g/mol
Exact Mass328.03
IUPAC Name6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole
SMILESCCC(C)(C)n1c(CCCl)nc2ccc(Br)cc21
InChIInChI=1S/C14H18BrClN2/c1-4-14(2,3)18-12-9-10(15)5-6-11(12)17-13(18)7-8-16/h5-6,9H,4,7-8H2,1-3H3
InChIKeyRIBWIVCNDIEOOY-UHFFFAOYSA-N
XLogP4.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.67
LogP ≤ 54.73
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-bromo-2-(2-chloroethyl)-1-(2-ethoxy-2-methylpropyl)benzimidazole
CID 114943389
1-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346142
6-bromo-2-(2-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 65345066
6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
CID 65344743
3-(2-methylbutan-2-yl)-2-propylbenzimidazole-5-carboxylic acid
CID 82790362
2-[2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 65346520
6-bromo-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 65346156
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylphenyl)benzimidazole
CID 65344841
6-bromo-2-(chloromethyl)-1-(2-methyl-2-methylsulfanylpropyl)benzimidazole
CID 113479176
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662
2-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 65346330
3-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 65346418

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole (CID 65344548) is 6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole is CCC(C)(C)n1c(CCCl)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole?
The InChIKey is RIBWIVCNDIEOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2/c1-4-14(2,3)18-12-9-10(15)5-6-11(12)17-13(18)7-8-16/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole?
6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole has a molecular weight of 329.67 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-1-(2-methylbutan-2-yl)benzimidazole is sourced from PubChem (CID 65344548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).