1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine

C15H23N3S — CID 54919733

IUPAC1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc2cc(C)ccc2n1C(C)C
InChIInChI=1S/C15H23N3S/c1-10(2)18-14-6-5-11(3)9-13(14)17-15(18)12(16)7-8-19-4/h5-6,9-10,12H,7-8,16H2,1-4H3
InChIKeyLEJZGHCFYMVHPZ-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.68
Rot. Bonds5

About 1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine

1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 54919733) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
PubChem CID54919733
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nc2cc(C)ccc2n1C(C)C
InChIInChI=1S/C15H23N3S/c1-10(2)18-14-6-5-11(3)9-13(14)17-15(18)12(16)7-8-19-4/h5-6,9-10,12H,7-8,16H2,1-4H3
InChIKeyLEJZGHCFYMVHPZ-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920160
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 60784384
1-(5-methyl-1-prop-2-enylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 82333037
2-methyl-1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919779
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
2-(1-chloroethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63958886
1-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 54920295
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54920104
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]-3-methylbutan-1-amine
CID 82334028
1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 61378601
(1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 104910664
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine (CID 54919733) is 1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine is CSCCC(N)c1nc2cc(C)ccc2n1C(C)C.
What is the InChIKey of 1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is LEJZGHCFYMVHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-10(2)18-14-6-5-11(3)9-13(14)17-15(18)12(16)7-8-19-4/h5-6,9-10,12H,7-8,16H2,1-4H3.
What are the key properties of 1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine?
1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 54919733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).