6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole

C10H11BrN2OS — CID 122623529

IUPAC6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole
SMILESCOc1nc2c(CSC)cc(Br)cc2[nH]1
InChIInChI=1S/C10H11BrN2OS/c1-14-10-12-8-4-7(11)3-6(5-15-2)9(8)13-10/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyFMTFVUIPTYBECY-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.20
Rot. Bonds3

About 6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole

6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole (PubChem CID 122623529) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is 6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole
PubChem CID122623529
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole
SMILESCOc1nc2c(CSC)cc(Br)cc2[nH]1
InChIInChI=1S/C10H11BrN2OS/c1-14-10-12-8-4-7(11)3-6(5-15-2)9(8)13-10/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyFMTFVUIPTYBECY-UHFFFAOYSA-N
XLogP3.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole (CID 122623529) is 6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole is COc1nc2c(CSC)cc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole?
The InChIKey is FMTFVUIPTYBECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-14-10-12-8-4-7(11)3-6(5-15-2)9(8)13-10/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole?
6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole has a molecular weight of 287.18 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-4-(methylsulfanylmethyl)-1H-benzimidazole is sourced from PubChem (CID 122623529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).