4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine

C20H23N3O3S — CID 71458605

IUPAC4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine
SMILESCCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccc(C)cc4)C3)[nH]c2c1
InChIInChI=1S/C20H23N3O3S/c1-3-27(24,25)16-8-9-17-18(12-16)22-20(21-17)23-10-11-26-19(13-23)15-6-4-14(2)5-7-15/h4-9,12,19H,3,10-11,13H2,1-2H3,(H,21,22)
InChIKeyMOMDMKJUBBDWEP-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.24
Rot. Bonds4

About 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine

4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine (PubChem CID 71458605) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine
PubChem CID71458605
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine
SMILESCCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccc(C)cc4)C3)[nH]c2c1
InChIInChI=1S/C20H23N3O3S/c1-3-27(24,25)16-8-9-17-18(12-16)22-20(21-17)23-10-11-26-19(13-23)15-6-4-14(2)5-7-15/h4-9,12,19H,3,10-11,13H2,1-2H3,(H,21,22)
InChIKeyMOMDMKJUBBDWEP-UHFFFAOYSA-N
XLogP3.24
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine?
The IUPAC name of 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine (CID 71458605) is 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine?
The canonical SMILES for 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine is CCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccc(C)cc4)C3)[nH]c2c1.
What is the InChIKey of 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine?
The InChIKey is MOMDMKJUBBDWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-27(24,25)16-8-9-17-18(12-16)22-20(21-17)23-10-11-26-19(13-23)15-6-4-14(2)5-7-15/h4-9,12,19H,3,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine?
4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine has a molecular weight of 385.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethylsulfonyl-1H-benzimidazol-2-yl)-2-(4-methylphenyl)morpholine is sourced from PubChem (CID 71458605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).