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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Related Compounds

6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
3-amino-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-1-ol
CID 64898748
5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 35163043
2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol
CID 82336117
N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]pentan-3-amine
CID 62874439
1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one
CID 4819310
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2085547
6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
CID 110376992
3-methyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]butan-1-amine
CID 62874777
2-[1-(4-tert-butylphenoxy)ethylsulfanyl]-6-methyl-1H-benzimidazole
CID 22217311
3-(furan-2-yl)-5-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 42955584

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).