4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine

C20H23N3O3S — CID 71305121

IUPAC4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine
SMILESCc1ccc(S(=O)(=O)n2c(CN3CCOCC3)nc3ccccc32)cc1C
InChIInChI=1S/C20H23N3O3S/c1-15-7-8-17(13-16(15)2)27(24,25)23-19-6-4-3-5-18(19)21-20(23)14-22-9-11-26-12-10-22/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYIXIOVOALCAWIC-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.72
Rot. Bonds4

About 4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine

4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine (PubChem CID 71305121) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine
PubChem CID71305121
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine
SMILESCc1ccc(S(=O)(=O)n2c(CN3CCOCC3)nc3ccccc32)cc1C
InChIInChI=1S/C20H23N3O3S/c1-15-7-8-17(13-16(15)2)27(24,25)23-19-6-4-3-5-18(19)21-20(23)14-22-9-11-26-12-10-22/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYIXIOVOALCAWIC-UHFFFAOYSA-N
XLogP2.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine (CID 71305121) is 4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine is Cc1ccc(S(=O)(=O)n2c(CN3CCOCC3)nc3ccccc32)cc1C.
What is the InChIKey of 4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine?
The InChIKey is YIXIOVOALCAWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-15-7-8-17(13-16(15)2)27(24,25)23-19-6-4-3-5-18(19)21-20(23)14-22-9-11-26-12-10-22/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine?
4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine has a molecular weight of 385.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine is sourced from PubChem (CID 71305121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).