4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine

C20H23N3O5S — CID 2321526

IUPAC4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine
SMILESCOc1ccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1OC
InChIInChI=1S/C20H23N3O5S/c1-26-18-6-3-14(11-19(18)27-2)12-20-21-16-5-4-15(13-17(16)22-20)29(24,25)23-7-9-28-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3,(H,21,22)
InChIKeyFZKAYYNEQVRLQY-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.19
Rot. Bonds6

About 4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine

4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine (PubChem CID 2321526) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine
PubChem CID2321526
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine
SMILESCOc1ccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1OC
InChIInChI=1S/C20H23N3O5S/c1-26-18-6-3-14(11-19(18)27-2)12-20-21-16-5-4-15(13-17(16)22-20)29(24,25)23-7-9-28-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3,(H,21,22)
InChIKeyFZKAYYNEQVRLQY-UHFFFAOYSA-N
XLogP2.19
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 393989
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CID 9925320
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CID 16582832
CID 16582832
CID 70701378
CID 70701378
CID 2021230
CID 2021230
CID 2044098
CID 2044098
CID 2106395
CID 2106395
CID 2323684
CID 2323684
CID 2380869
CID 2380869
CID 2381366
CID 2381366
CID 3239351
CID 3239351
CID 15989541
CID 15989541

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine?
The IUPAC name of 4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine (CID 2321526) is 4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine?
The canonical SMILES for 4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine is COc1ccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1OC.
What is the InChIKey of 4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine?
The InChIKey is FZKAYYNEQVRLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-26-18-6-3-14(11-19(18)27-2)12-20-21-16-5-4-15(13-17(16)22-20)29(24,25)23-7-9-28-10-8-23/h3-6,11,13H,7-10,12H2,1-2H3,(H,21,22).
What are the key properties of 4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine?
4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine has a molecular weight of 417.49 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3,4-dimethoxyphenyl)methyl]-3H-benzimidazol-5-yl]sulfonyl]morpholine is sourced from PubChem (CID 2321526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).