2-bromo-4-chloro-1-propan-2-ylbenzimidazole

C10H10BrClN2 — CID 83845123

IUPAC2-bromo-4-chloro-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(Br)nc2c(Cl)cccc21
InChIInChI=1S/C10H10BrClN2/c1-6(2)14-8-5-3-4-7(12)9(8)13-10(14)11/h3-6H,1-2H3
InChIKeyIRUJEEJTYJVGFY-UHFFFAOYSA-N
MW273.56 g/mol
LogP4.03
Rot. Bonds1

About 2-bromo-4-chloro-1-propan-2-ylbenzimidazole

2-bromo-4-chloro-1-propan-2-ylbenzimidazole (PubChem CID 83845123) has the molecular formula C10H10BrClN2 and a molecular weight of 273.56 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-bromo-4-chloro-1-propan-2-ylbenzimidazole
PubChem CID83845123
Molecular FormulaC10H10BrClN2
Molecular Weight273.56 g/mol
Exact Mass271.97
IUPAC Name2-bromo-4-chloro-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(Br)nc2c(Cl)cccc21
InChIInChI=1S/C10H10BrClN2/c1-6(2)14-8-5-3-4-7(12)9(8)13-10(14)11/h3-6H,1-2H3
InChIKeyIRUJEEJTYJVGFY-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-methyl-1-propan-2-ylbenzimidazole
CID 83449668
1-butan-2-yl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837361
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
CID 104836790
4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601557
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313
2-bromo-4-chloro-1-cyclopentylbenzimidazole
CID 84816196
4-chloro-2-(1-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 104838172
4-chloro-2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)benzimidazole
CID 104838671
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 104838576
4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
CID 104838029
4-chloro-2-(1-chloroethyl)-1-(4-methylhexan-2-yl)benzimidazole
CID 104838352
4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113477819

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-bromo-4-chloro-1-propan-2-ylbenzimidazole (CID 83845123) is 2-bromo-4-chloro-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-bromo-4-chloro-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-bromo-4-chloro-1-propan-2-ylbenzimidazole is CC(C)n1c(Br)nc2c(Cl)cccc21.
What is the InChIKey of 2-bromo-4-chloro-1-propan-2-ylbenzimidazole?
The InChIKey is IRUJEEJTYJVGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2/c1-6(2)14-8-5-3-4-7(12)9(8)13-10(14)11/h3-6H,1-2H3.
What are the key properties of 2-bromo-4-chloro-1-propan-2-ylbenzimidazole?
2-bromo-4-chloro-1-propan-2-ylbenzimidazole has a molecular weight of 273.56 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 83845123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).