2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide

C14H11Br3N2S — CID 45135788

IUPAC2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide
SMILESBr.Brc1ccc(CSc2nc3ccccc3[nH]2)c(Br)c1
InChIInChI=1S/C14H10Br2N2S.BrH/c15-10-6-5-9(11(16)7-10)8-19-14-17-12-3-1-2-4-13(12)18-14;/h1-7H,8H2,(H,17,18);1H
InChIKeyLRHFUQXQPCTGTD-UHFFFAOYSA-N
MW479.04 g/mol
LogP5.96
Rot. Bonds3

About 2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide

2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide (PubChem CID 45135788) has the molecular formula C14H11Br3N2S and a molecular weight of 479.04 g/mol. Its IUPAC name is 2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide.

Molecular Properties

Compound Name2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide
PubChem CID45135788
Molecular FormulaC14H11Br3N2S
Molecular Weight479.04 g/mol
Exact Mass475.82
IUPAC Name2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide
SMILESBr.Brc1ccc(CSc2nc3ccccc3[nH]2)c(Br)c1
InChIInChI=1S/C14H10Br2N2S.BrH/c15-10-6-5-9(11(16)7-10)8-19-14-17-12-3-1-2-4-13(12)18-14;/h1-7H,8H2,(H,17,18);1H
InChIKeyLRHFUQXQPCTGTD-UHFFFAOYSA-N
XLogP5.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.04
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide?
The IUPAC name of 2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide (CID 45135788) is 2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide.
What is the SMILES notation for 2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide?
The canonical SMILES for 2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide is Br.Brc1ccc(CSc2nc3ccccc3[nH]2)c(Br)c1.
What is the InChIKey of 2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide?
The InChIKey is LRHFUQXQPCTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2S.BrH/c15-10-6-5-9(11(16)7-10)8-19-14-17-12-3-1-2-4-13(12)18-14;/h1-7H,8H2,(H,17,18);1H.
What are the key properties of 2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide?
2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide has a molecular weight of 479.04 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide is sourced from PubChem (CID 45135788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).