1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide

C20H21N5O4S — CID 55601783

IUPAC1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide
SMILESCCn1c(COc2nnc(-c3ccccc3)o2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H21N5O4S/c1-4-25-17-11-10-15(30(26,27)24(2)3)12-16(17)21-18(25)13-28-20-23-22-19(29-20)14-8-6-5-7-9-14/h5-12H,4,13H2,1-3H3
InChIKeyNAGNGOOZLSYTLN-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.94
Rot. Bonds7

About 1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide

1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide (PubChem CID 55601783) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide
PubChem CID55601783
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide
SMILESCCn1c(COc2nnc(-c3ccccc3)o2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C20H21N5O4S/c1-4-25-17-11-10-15(30(26,27)24(2)3)12-16(17)21-18(25)13-28-20-23-22-19(29-20)14-8-6-5-7-9-14/h5-12H,4,13H2,1-3H3
InChIKeyNAGNGOOZLSYTLN-UHFFFAOYSA-N
XLogP2.94
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide?
The IUPAC name of 1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide (CID 55601783) is 1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide?
The canonical SMILES for 1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide is CCn1c(COc2nnc(-c3ccccc3)o2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide?
The InChIKey is NAGNGOOZLSYTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-4-25-17-11-10-15(30(26,27)24(2)3)12-16(17)21-18(25)13-28-20-23-22-19(29-20)14-8-6-5-7-9-14/h5-12H,4,13H2,1-3H3.
What are the key properties of 1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide?
1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide has a molecular weight of 427.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxymethyl]benzimidazole-5-sulfonamide is sourced from PubChem (CID 55601783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).