1-(2-bromoprop-2-enyl)benzimidazole

C10H9BrN2 — CID 785141

IUPAC1-(2-bromoprop-2-enyl)benzimidazole
SMILESC=C(Br)Cn1cnc2ccccc21
InChIInChI=1S/C10H9BrN2/c1-8(11)6-13-7-12-9-4-2-3-5-10(9)13/h2-5,7H,1,6H2
InChIKeyITXGAGYNZCLCAZ-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.94
Rot. Bonds2

About 1-(2-bromoprop-2-enyl)benzimidazole

1-(2-bromoprop-2-enyl)benzimidazole (PubChem CID 785141) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)benzimidazole
PubChem CID785141
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name1-(2-bromoprop-2-enyl)benzimidazole
SMILESC=C(Br)Cn1cnc2ccccc21
InChIInChI=1S/C10H9BrN2/c1-8(11)6-13-7-12-9-4-2-3-5-10(9)13/h2-5,7H,1,6H2
InChIKeyITXGAGYNZCLCAZ-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)benzimidazole?
The IUPAC name of 1-(2-bromoprop-2-enyl)benzimidazole (CID 785141) is 1-(2-bromoprop-2-enyl)benzimidazole.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)benzimidazole?
The canonical SMILES for 1-(2-bromoprop-2-enyl)benzimidazole is C=C(Br)Cn1cnc2ccccc21.
What is the InChIKey of 1-(2-bromoprop-2-enyl)benzimidazole?
The InChIKey is ITXGAGYNZCLCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-8(11)6-13-7-12-9-4-2-3-5-10(9)13/h2-5,7H,1,6H2.
What are the key properties of 1-(2-bromoprop-2-enyl)benzimidazole?
1-(2-bromoprop-2-enyl)benzimidazole has a molecular weight of 237.10 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)benzimidazole is sourced from PubChem (CID 785141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).