5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine

C13H19N3S — CID 113494960

IUPAC5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine
SMILESCCC(CSC)n1c(N)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3S/c1-4-10(8-17-3)16-12-6-5-9(2)7-11(12)15-13(16)14/h5-7,10H,4,8H2,1-3H3,(H2,14,15)
InChIKeySHJVBLSDPKVUEE-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.24
Rot. Bonds4

About 5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine

5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine (PubChem CID 113494960) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine
PubChem CID113494960
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine
SMILESCCC(CSC)n1c(N)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3S/c1-4-10(8-17-3)16-12-6-5-9(2)7-11(12)15-13(16)14/h5-7,10H,4,8H2,1-3H3,(H2,14,15)
InChIKeySHJVBLSDPKVUEE-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113494963
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501988
1-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzimidazol-2-amine
CID 62990352
1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54919733
2-(1-chloroethyl)-1-hexan-3-yl-5-methylbenzimidazole
CID 55221405
5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine
CID 54950603
2-[5-methyl-1-(3-methylpentan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 61463776
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
1-hexan-3-yl-2-methylbenzimidazol-5-amine
CID 62506241
1-(1-ethylcyclobutyl)-5-methylbenzimidazol-2-amine
CID 113488927

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine (CID 113494960) is 5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine is CCC(CSC)n1c(N)nc2cc(C)ccc21.
What is the InChIKey of 5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
The InChIKey is SHJVBLSDPKVUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-10(8-17-3)16-12-6-5-9(2)7-11(12)15-13(16)14/h5-7,10H,4,8H2,1-3H3,(H2,14,15).
What are the key properties of 5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine has a molecular weight of 249.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 113494960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).