5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine

C11H14BrN3OS — CID 113486569

IUPAC5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine
SMILESCC(CS(C)=O)n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C11H14BrN3OS/c1-7(6-17(2)16)15-10-4-3-8(12)5-9(10)14-11(15)13/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChIKeyTZHZZYRAPNTCRN-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.32
Rot. Bonds3

About 5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine

5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine (PubChem CID 113486569) has the molecular formula C11H14BrN3OS and a molecular weight of 316.22 g/mol. Its IUPAC name is 5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine
PubChem CID113486569
Molecular FormulaC11H14BrN3OS
Molecular Weight316.22 g/mol
Exact Mass315.00
IUPAC Name5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine
SMILESCC(CS(C)=O)n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C11H14BrN3OS/c1-7(6-17(2)16)15-10-4-3-8(12)5-9(10)14-11(15)13/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChIKeyTZHZZYRAPNTCRN-UHFFFAOYSA-N
XLogP2.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 43661479
5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine
CID 54950603
5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 43662122
1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine
CID 113493605
5-bromo-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843687
5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 43661906
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
5-iodo-1-pentan-2-ylbenzimidazol-2-amine
CID 66081380
5-bromo-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazol-2-amine
CID 62117929
5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
CID 63546046
5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 66081185
5-bromo-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 63330148

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine (CID 113486569) is 5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine is CC(CS(C)=O)n1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine?
The InChIKey is TZHZZYRAPNTCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3OS/c1-7(6-17(2)16)15-10-4-3-8(12)5-9(10)14-11(15)13/h3-5,7H,6H2,1-2H3,(H2,13,14).
What are the key properties of 5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine?
5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine has a molecular weight of 316.22 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 113486569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).