2-methyl-5-propylsulfanyl-2H-benzimidazole

C11H14N2S — CID 70618141

IUPAC2-methyl-5-propylsulfanyl-2H-benzimidazole
SMILESCCCSc1ccc2c(c1)=NC(C)N=2
InChIInChI=1S/C11H14N2S/c1-3-6-14-9-4-5-10-11(7-9)13-8(2)12-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyJBKWDQINDQQVKT-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.79
Rot. Bonds3

About 2-methyl-5-propylsulfanyl-2H-benzimidazole

2-methyl-5-propylsulfanyl-2H-benzimidazole (PubChem CID 70618141) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methyl-5-propylsulfanyl-2H-benzimidazole.

Molecular Properties

Compound Name2-methyl-5-propylsulfanyl-2H-benzimidazole
PubChem CID70618141
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-methyl-5-propylsulfanyl-2H-benzimidazole
SMILESCCCSc1ccc2c(c1)=NC(C)N=2
InChIInChI=1S/C11H14N2S/c1-3-6-14-9-4-5-10-11(7-9)13-8(2)12-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyJBKWDQINDQQVKT-UHFFFAOYSA-N
XLogP1.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propylsulfanyl-2H-benzimidazole?
The IUPAC name of 2-methyl-5-propylsulfanyl-2H-benzimidazole (CID 70618141) is 2-methyl-5-propylsulfanyl-2H-benzimidazole.
What is the SMILES notation for 2-methyl-5-propylsulfanyl-2H-benzimidazole?
The canonical SMILES for 2-methyl-5-propylsulfanyl-2H-benzimidazole is CCCSc1ccc2c(c1)=NC(C)N=2.
What is the InChIKey of 2-methyl-5-propylsulfanyl-2H-benzimidazole?
The InChIKey is JBKWDQINDQQVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-6-14-9-4-5-10-11(7-9)13-8(2)12-10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 2-methyl-5-propylsulfanyl-2H-benzimidazole?
2-methyl-5-propylsulfanyl-2H-benzimidazole has a molecular weight of 206.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propylsulfanyl-2H-benzimidazole is sourced from PubChem (CID 70618141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).