5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine

C14H20N4OS — CID 106326321

IUPAC5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc(N)n2CCN1CCSCC1
InChIInChI=1S/C14H20N4OS/c1-19-11-2-3-13-12(10-11)16-14(15)18(13)5-4-17-6-8-20-9-7-17/h2-3,10H,4-9H2,1H3,(H2,15,16)
InChIKeyYDESRNSOODHXQE-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.68
Rot. Bonds4

About 5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine

5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine (PubChem CID 106326321) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
PubChem CID106326321
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
SMILESCOc1ccc2c(c1)nc(N)n2CCN1CCSCC1
InChIInChI=1S/C14H20N4OS/c1-19-11-2-3-13-12(10-11)16-14(15)18(13)5-4-17-6-8-20-9-7-17/h2-3,10H,4-9H2,1H3,(H2,15,16)
InChIKeyYDESRNSOODHXQE-UHFFFAOYSA-N
XLogP1.68
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine (CID 106326321) is 5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine is COc1ccc2c(c1)nc(N)n2CCN1CCSCC1.
What is the InChIKey of 5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
The InChIKey is YDESRNSOODHXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-19-11-2-3-13-12(10-11)16-14(15)18(13)5-4-17-6-8-20-9-7-17/h2-3,10H,4-9H2,1H3,(H2,15,16).
What are the key properties of 5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine?
5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine has a molecular weight of 292.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 106326321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).