5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one

C21H20N6O2 — CID 167806317

IUPAC5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)CCn1cc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)c2ccccc21
InChIInChI=1S/C21H20N6O2/c1-26(2)9-10-27-12-15(14-5-3-4-6-18(14)27)20-24-19(25-29-20)13-7-8-16-17(11-13)23-21(28)22-16/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,28)
InChIKeyHIPKBDHWFUUUAA-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.09
Rot. Bonds5

About 5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one

5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 167806317) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID167806317
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)CCn1cc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)c2ccccc21
InChIInChI=1S/C21H20N6O2/c1-26(2)9-10-27-12-15(14-5-3-4-6-18(14)27)20-24-19(25-29-20)13-7-8-16-17(11-13)23-21(28)22-16/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,28)
InChIKeyHIPKBDHWFUUUAA-UHFFFAOYSA-N
XLogP3.09
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one (CID 167806317) is 5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one is CN(C)CCn1cc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)c2ccccc21.
What is the InChIKey of 5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HIPKBDHWFUUUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-26(2)9-10-27-12-15(14-5-3-4-6-18(14)27)20-24-19(25-29-20)13-7-8-16-17(11-13)23-21(28)22-16/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,28).
What are the key properties of 5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one?
5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 388.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[2-(dimethylamino)ethyl]indol-3-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 167806317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).