N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide

C13H17N3O2S — CID 139451799

IUPACN-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1ccc2nc(SC)n(CCNC(C)=O)c2c1
InChIInChI=1S/C13H17N3O2S/c1-9(17)14-6-7-16-12-8-10(18-2)4-5-11(12)15-13(16)19-3/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeySWMZGIRIHACCTN-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide

N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide (PubChem CID 139451799) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide
PubChem CID139451799
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1ccc2nc(SC)n(CCNC(C)=O)c2c1
InChIInChI=1S/C13H17N3O2S/c1-9(17)14-6-7-16-12-8-10(18-2)4-5-11(12)15-13(16)19-3/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeySWMZGIRIHACCTN-UHFFFAOYSA-N
XLogP1.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide (CID 139451799) is N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide is COc1ccc2nc(SC)n(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is SWMZGIRIHACCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(17)14-6-7-16-12-8-10(18-2)4-5-11(12)15-13(16)19-3/h4-5,8H,6-7H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide?
N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-2-methylsulfanylbenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 139451799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).