2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine

C11H17N3S — CID 70460645

IUPAC2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine
SMILESCCSC1Nc2ccccc2N1N(C)C
InChIInChI=1S/C11H17N3S/c1-4-15-11-12-9-7-5-6-8-10(9)14(11)13(2)3/h5-8,11-12H,4H2,1-3H3
InChIKeyARMMAUMIDFLTBQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.43
Rot. Bonds3

About 2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine

2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine (PubChem CID 70460645) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine
PubChem CID70460645
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine
SMILESCCSC1Nc2ccccc2N1N(C)C
InChIInChI=1S/C11H17N3S/c1-4-15-11-12-9-7-5-6-8-10(9)14(11)13(2)3/h5-8,11-12H,4H2,1-3H3
InChIKeyARMMAUMIDFLTBQ-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine?
The IUPAC name of 2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine (CID 70460645) is 2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine.
What is the SMILES notation for 2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine?
The canonical SMILES for 2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine is CCSC1Nc2ccccc2N1N(C)C.
What is the InChIKey of 2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine?
The InChIKey is ARMMAUMIDFLTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-4-15-11-12-9-7-5-6-8-10(9)14(11)13(2)3/h5-8,11-12H,4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine?
2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine has a molecular weight of 223.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N,N-dimethyl-2,3-dihydrobenzimidazol-1-amine is sourced from PubChem (CID 70460645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).