4-bromo-1-butyl-2-chlorobenzimidazole

C11H12BrClN2 — CID 164912104

IUPAC4-bromo-1-butyl-2-chlorobenzimidazole
SMILESCCCCn1c(Cl)nc2c(Br)cccc21
InChIInChI=1S/C11H12BrClN2/c1-2-3-7-15-9-6-4-5-8(12)10(9)14-11(15)13/h4-6H,2-3,7H2,1H3
InChIKeyJOFLLCKCJUJJHR-UHFFFAOYSA-N
MW287.59 g/mol
LogP4.25
Rot. Bonds3

About 4-bromo-1-butyl-2-chlorobenzimidazole

4-bromo-1-butyl-2-chlorobenzimidazole (PubChem CID 164912104) has the molecular formula C11H12BrClN2 and a molecular weight of 287.59 g/mol. Its IUPAC name is 4-bromo-1-butyl-2-chlorobenzimidazole.

Molecular Properties

Compound Name4-bromo-1-butyl-2-chlorobenzimidazole
PubChem CID164912104
Molecular FormulaC11H12BrClN2
Molecular Weight287.59 g/mol
Exact Mass285.99
IUPAC Name4-bromo-1-butyl-2-chlorobenzimidazole
SMILESCCCCn1c(Cl)nc2c(Br)cccc21
InChIInChI=1S/C11H12BrClN2/c1-2-3-7-15-9-6-4-5-8(12)10(9)14-11(15)13/h4-6H,2-3,7H2,1H3
InChIKeyJOFLLCKCJUJJHR-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.59
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-aminoethyl)-4-bromobenzimidazol-2-amine
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CID 54920921
1-bromo-9-heptadecylcarbazole
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2-bromo-1-propylbenzimidazol-4-ol
CID 84804853
4-bromo-2-tert-butyl-1-methylbenzimidazole
CID 82379645
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
3-[5,8-dibromo-3-(9-hexylcarbazol-3-yl)quinoxalin-2-yl]-9-hexylcarbazole
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-butyl-2-chlorobenzimidazole?
The IUPAC name of 4-bromo-1-butyl-2-chlorobenzimidazole (CID 164912104) is 4-bromo-1-butyl-2-chlorobenzimidazole.
What is the SMILES notation for 4-bromo-1-butyl-2-chlorobenzimidazole?
The canonical SMILES for 4-bromo-1-butyl-2-chlorobenzimidazole is CCCCn1c(Cl)nc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-butyl-2-chlorobenzimidazole?
The InChIKey is JOFLLCKCJUJJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2/c1-2-3-7-15-9-6-4-5-8(12)10(9)14-11(15)13/h4-6H,2-3,7H2,1H3.
What are the key properties of 4-bromo-1-butyl-2-chlorobenzimidazole?
4-bromo-1-butyl-2-chlorobenzimidazole has a molecular weight of 287.59 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-butyl-2-chlorobenzimidazole is sourced from PubChem (CID 164912104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).