2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone

C14H17N3O2S — CID 601048

IUPAC2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESCSc1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C14H17N3O2S/c1-20-14-15-11-4-2-3-5-12(11)17(14)10-13(18)16-6-8-19-9-7-16/h2-5H,6-10H2,1H3
InChIKeyFBKIYPYBNHOQCZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.62
Rot. Bonds3

About 2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone

2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 601048) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID601048
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESCSc1nc2ccccc2n1CC(=O)N1CCOCC1
InChIInChI=1S/C14H17N3O2S/c1-20-14-15-11-4-2-3-5-12(11)17(14)10-13(18)16-6-8-19-9-7-16/h2-5H,6-10H2,1H3
InChIKeyFBKIYPYBNHOQCZ-UHFFFAOYSA-N
XLogP1.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 3224778
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 16996586
N-cyclopropyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3224772
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 16999857
methyl 2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetate
CID 4085274
2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 17002090
N-[1-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970083
N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972336

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone (CID 601048) is 2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone is CSc1nc2ccccc2n1CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is FBKIYPYBNHOQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-20-14-15-11-4-2-3-5-12(11)17(14)10-13(18)16-6-8-19-9-7-16/h2-5H,6-10H2,1H3.
What are the key properties of 2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone?
2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 291.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylbenzimidazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 601048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).