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

C20H23N3O3S — CID 71454968

IUPAC2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine
SMILESCCCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccccc4)C3)[nH]c2c1
InChIInChI=1S/C20H23N3O3S/c1-2-12-27(24,25)16-8-9-17-18(13-16)22-20(21-17)23-10-11-26-19(14-23)15-6-4-3-5-7-15/h3-9,13,19H,2,10-12,14H2,1H3,(H,21,22)
InChIKeyTXEXIUFCFKEHNJ-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.32
Rot. Bonds5

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

2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine (PubChem CID 71454968) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine.

Molecular Properties

Compound Name2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine
PubChem CID71454968
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine
SMILESCCCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccccc4)C3)[nH]c2c1
InChIInChI=1S/C20H23N3O3S/c1-2-12-27(24,25)16-8-9-17-18(13-16)22-20(21-17)23-10-11-26-19(14-23)15-6-4-3-5-7-15/h3-9,13,19H,2,10-12,14H2,1H3,(H,21,22)
InChIKeyTXEXIUFCFKEHNJ-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 2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine?
The IUPAC name of 2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine (CID 71454968) is 2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine.
What is the SMILES notation for 2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine?
The canonical SMILES for 2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine is CCCS(=O)(=O)c1ccc2nc(N3CCOC(c4ccccc4)C3)[nH]c2c1.
What is the InChIKey of 2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine?
The InChIKey is TXEXIUFCFKEHNJ-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)23-10-11-26-19(14-23)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 2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine?
2-phenyl-4-(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 2-phenyl-4-(6-propylsulfonyl-1H-benzimidazol-2-yl)morpholine is sourced from PubChem (CID 71454968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).