4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine

C14H19N3OS — CID 57270676

IUPAC4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine
SMILESCc1ccc2nc(SC(C)N3CCOCC3)[nH]c2c1
InChIInChI=1S/C14H19N3OS/c1-10-3-4-12-13(9-10)16-14(15-12)19-11(2)17-5-7-18-8-6-17/h3-4,9,11H,5-8H2,1-2H3,(H,15,16)
InChIKeyCLTKPWFEDQLYBF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.64
Rot. Bonds3

About 4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine

4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine (PubChem CID 57270676) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine
PubChem CID57270676
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine
SMILESCc1ccc2nc(SC(C)N3CCOCC3)[nH]c2c1
InChIInChI=1S/C14H19N3OS/c1-10-3-4-12-13(9-10)16-14(15-12)19-11(2)17-5-7-18-8-6-17/h3-4,9,11H,5-8H2,1-2H3,(H,15,16)
InChIKeyCLTKPWFEDQLYBF-UHFFFAOYSA-N
XLogP2.64
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine (CID 57270676) is 4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine is Cc1ccc2nc(SC(C)N3CCOCC3)[nH]c2c1.
What is the InChIKey of 4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine?
The InChIKey is CLTKPWFEDQLYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-3-4-12-13(9-10)16-14(15-12)19-11(2)17-5-7-18-8-6-17/h3-4,9,11H,5-8H2,1-2H3,(H,15,16).
What are the key properties of 4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine?
4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine has a molecular weight of 277.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine is sourced from PubChem (CID 57270676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).