N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine

C15H23N3S — CID 146046144

IUPACN-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine
SMILESCCSCC(C)N(C)CCn1cnc2ccccc21
InChIInChI=1S/C15H23N3S/c1-4-19-11-13(2)17(3)9-10-18-12-16-14-7-5-6-8-15(14)18/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyIBCXSYVIZXKDIE-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.11
Rot. Bonds7

About N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine

N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine (PubChem CID 146046144) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine
PubChem CID146046144
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine
SMILESCCSCC(C)N(C)CCn1cnc2ccccc21
InChIInChI=1S/C15H23N3S/c1-4-19-11-13(2)17(3)9-10-18-12-16-14-7-5-6-8-15(14)18/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyIBCXSYVIZXKDIE-UHFFFAOYSA-N
XLogP3.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(benzimidazol-1-yl)ethyl]-1-(4-bromophenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine (CID 146046144) is N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine is CCSCC(C)N(C)CCn1cnc2ccccc21.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine?
The InChIKey is IBCXSYVIZXKDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-19-11-13(2)17(3)9-10-18-12-16-14-7-5-6-8-15(14)18/h5-8,12-13H,4,9-11H2,1-3H3.
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine?
N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine has a molecular weight of 277.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 146046144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).