1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine

C12H17N3OS — CID 113493605

IUPAC1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine
SMILESCC(CCS(C)=O)n1c(N)nc2ccccc21
InChIInChI=1S/C12H17N3OS/c1-9(7-8-17(2)16)15-11-6-4-3-5-10(11)14-12(15)13/h3-6,9H,7-8H2,1-2H3,(H2,13,14)
InChIKeyKQJOGKQSTPJPBC-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.95
Rot. Bonds4

About 1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine

1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine (PubChem CID 113493605) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine
PubChem CID113493605
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine
SMILESCC(CCS(C)=O)n1c(N)nc2ccccc21
InChIInChI=1S/C12H17N3OS/c1-9(7-8-17(2)16)15-11-6-4-3-5-10(11)14-12(15)13/h3-6,9H,7-8H2,1-2H3,(H2,13,14)
InChIKeyKQJOGKQSTPJPBC-UHFFFAOYSA-N
XLogP1.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine
CID 64643418
3-(2-aminobenzimidazol-1-yl)butan-2-one
CID 82358956
5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine
CID 113486569
propyl 2-(2-aminobenzimidazol-1-yl)propanoate
CID 82358921
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
methyl 2-(2-aminobenzimidazol-1-yl)butanoate
CID 82358918
2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid
CID 82358989
5-iodo-1-pentan-2-ylbenzimidazol-2-amine
CID 66081380
6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 113316215
1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine
CID 159011652
2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol
CID 155774431
6-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 62377363

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine?
The IUPAC name of 1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine (CID 113493605) is 1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine is CC(CCS(C)=O)n1c(N)nc2ccccc21.
What is the InChIKey of 1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine?
The InChIKey is KQJOGKQSTPJPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-9(7-8-17(2)16)15-11-6-4-3-5-10(11)14-12(15)13/h3-6,9H,7-8H2,1-2H3,(H2,13,14).
What are the key properties of 1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine?
1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine has a molecular weight of 251.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 113493605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).