4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride

C18H20ClN3O3S — CID 6602905

IUPAC4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2nc(Cc3ccccc3)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C18H19N3O3S.ClH/c22-25(23,21-8-10-24-11-9-21)15-6-7-16-17(13-15)20-18(19-16)12-14-4-2-1-3-5-14;/h1-7,13H,8-12H2,(H,19,20);1H
InChIKeyIBEMGNBUUCUPTK-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.60
Rot. Bonds4

About 4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride

4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride (PubChem CID 6602905) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride
PubChem CID6602905
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2nc(Cc3ccccc3)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C18H19N3O3S.ClH/c22-25(23,21-8-10-24-11-9-21)15-6-7-16-17(13-15)20-18(19-16)12-14-4-2-1-3-5-14;/h1-7,13H,8-12H2,(H,19,20);1H
InChIKeyIBEMGNBUUCUPTK-UHFFFAOYSA-N
XLogP2.60
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride?
The IUPAC name of 4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride (CID 6602905) is 4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride is Cl.O=S(=O)(c1ccc2nc(Cc3ccccc3)[nH]c2c1)N1CCOCC1.
What is the InChIKey of 4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride?
The InChIKey is IBEMGNBUUCUPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S.ClH/c22-25(23,21-8-10-24-11-9-21)15-6-7-16-17(13-15)20-18(19-16)12-14-4-2-1-3-5-14;/h1-7,13H,8-12H2,(H,19,20);1H.
What are the key properties of 4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride?
4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride has a molecular weight of 393.90 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzyl-3H-benzimidazol-5-yl)sulfonyl]morpholine;hydrochloride is sourced from PubChem (CID 6602905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).