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

C13H19N3OS — CID 113494963

IUPAC5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine
SMILESCCC(CSC)n1c(N)nc2cc(OC)ccc21
InChIInChI=1S/C13H19N3OS/c1-4-9(8-18-3)16-12-6-5-10(17-2)7-11(12)15-13(16)14/h5-7,9H,4,8H2,1-3H3,(H2,14,15)
InChIKeyUPEULWJMWSARGD-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.94
Rot. Bonds5

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

5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine (PubChem CID 113494963) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine
PubChem CID113494963
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine
SMILESCCC(CSC)n1c(N)nc2cc(OC)ccc21
InChIInChI=1S/C13H19N3OS/c1-4-9(8-18-3)16-12-6-5-10(17-2)7-11(12)15-13(16)14/h5-7,9H,4,8H2,1-3H3,(H2,14,15)
InChIKeyUPEULWJMWSARGD-UHFFFAOYSA-N
XLogP2.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113494960
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501988
5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine
CID 54950603
1-(3-ethyl-1-methylpyrazol-4-yl)-5-methoxybenzimidazol-2-amine
CID 107463924
5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine
CID 141375297
(1S)-1-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 83858310
1-[(5-ethylthiophen-2-yl)methyl]-5-methoxybenzimidazol-2-amine
CID 106008088
1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807
1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridin-2-amine
CID 79295990
N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334457
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
CID 15955948
2-(1-bromopropyl)-1-ethyl-5-methoxybenzimidazole
CID 82334579

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine (CID 113494963) is 5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine is CCC(CSC)n1c(N)nc2cc(OC)ccc21.
What is the InChIKey of 5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
The InChIKey is UPEULWJMWSARGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-4-9(8-18-3)16-12-6-5-10(17-2)7-11(12)15-13(16)14/h5-7,9H,4,8H2,1-3H3,(H2,14,15).
What are the key properties of 5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine?
5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine has a molecular weight of 265.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 113494963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).