4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine

C12H17N3OS — CID 114041695

IUPAC4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine
SMILESCc1cccc2c1nc(N)n2CC(C)S(C)=O
InChIInChI=1S/C12H17N3OS/c1-8-5-4-6-10-11(8)14-12(13)15(10)7-9(2)17(3)16/h4-6,9H,7H2,1-3H3,(H2,13,14)
InChIKeyYGXLETLFAXOLPC-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.69
Rot. Bonds3

About 4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine

4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine (PubChem CID 114041695) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine
PubChem CID114041695
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine
SMILESCc1cccc2c1nc(N)n2CC(C)S(C)=O
InChIInChI=1S/C12H17N3OS/c1-8-5-4-6-10-11(8)14-12(13)15(10)7-9(2)17(3)16/h4-6,9H,7H2,1-3H3,(H2,13,14)
InChIKeyYGXLETLFAXOLPC-UHFFFAOYSA-N
XLogP1.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine (CID 114041695) is 4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine is Cc1cccc2c1nc(N)n2CC(C)S(C)=O.
What is the InChIKey of 4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine?
The InChIKey is YGXLETLFAXOLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-5-4-6-10-11(8)14-12(13)15(10)7-9(2)17(3)16/h4-6,9H,7H2,1-3H3,(H2,13,14).
What are the key properties of 4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine?
4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine has a molecular weight of 251.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylsulfinylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 114041695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).