4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine

C20H23N3O3S — CID 71451429

IUPAC4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine
SMILESCCCS(=O)(=O)c1ccc2nc(C3CN(c4ccccc4)CCO3)[nH]c2c1
InChIInChI=1S/C20H23N3O3S/c1-2-12-27(24,25)16-8-9-17-18(13-16)22-20(21-17)19-14-23(10-11-26-19)15-6-4-3-5-7-15/h3-9,13,19H,2,10-12,14H2,1H3,(H,21,22)
InChIKeyBJTUQCMBCTVKDE-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.32
Rot. Bonds5

About 4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine

4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine (PubChem CID 71451429) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine
PubChem CID71451429
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine
SMILESCCCS(=O)(=O)c1ccc2nc(C3CN(c4ccccc4)CCO3)[nH]c2c1
InChIInChI=1S/C20H23N3O3S/c1-2-12-27(24,25)16-8-9-17-18(13-16)22-20(21-17)19-14-23(10-11-26-19)15-6-4-3-5-7-15/h3-9,13,19H,2,10-12,14H2,1H3,(H,21,22)
InChIKeyBJTUQCMBCTVKDE-UHFFFAOYSA-N
XLogP3.32
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine?
The IUPAC name of 4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine (CID 71451429) is 4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine.
What is the SMILES notation for 4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine?
The canonical SMILES for 4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine is CCCS(=O)(=O)c1ccc2nc(C3CN(c4ccccc4)CCO3)[nH]c2c1.
What is the InChIKey of 4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine?
The InChIKey is BJTUQCMBCTVKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-12-27(24,25)16-8-9-17-18(13-16)22-20(21-17)19-14-23(10-11-26-19)15-6-4-3-5-7-15/h3-9,13,19H,2,10-12,14H2,1H3,(H,21,22).
What are the key properties of 4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine?
4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine has a molecular weight of 385.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine is sourced from PubChem (CID 71451429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).