2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole

C32H18N6O — CID 90086769

IUPAC2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(c1)nc1c3ccccc3c(-c3nnc(-c4cn5c6ccccc6nc5c5ccccc45)o3)cn21
InChIInChI=1S/C32H18N6O/c1-3-11-21-19(9-1)23(17-37-27-15-7-5-13-25(27)33-29(21)37)31-35-36-32(39-31)24-18-38-28-16-8-6-14-26(28)34-30(38)22-12-4-2-10-20(22)24/h1-18H
InChIKeyMNOCZBWVSZKADS-UHFFFAOYSA-N
MW502.54 g/mol
LogP7.31
Rot. Bonds2

About 2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole

2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole (PubChem CID 90086769) has the molecular formula C32H18N6O and a molecular weight of 502.54 g/mol. Its IUPAC name is 2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole
PubChem CID90086769
Molecular FormulaC32H18N6O
Molecular Weight502.54 g/mol
Exact Mass502.15
IUPAC Name2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole
SMILESc1ccc2c(c1)nc1c3ccccc3c(-c3nnc(-c4cn5c6ccccc6nc5c5ccccc45)o3)cn21
InChIInChI=1S/C32H18N6O/c1-3-11-21-19(9-1)23(17-37-27-15-7-5-13-25(27)33-29(21)37)31-35-36-32(39-31)24-18-38-28-16-8-6-14-26(28)34-30(38)22-12-4-2-10-20(22)24/h1-18H
InChIKeyMNOCZBWVSZKADS-UHFFFAOYSA-N
XLogP7.31
TPSA73.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.54
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline
CID 71108799
benzimidazolo[2,1-a]isoquinoline;ethane
CID 156745272
17-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 101191283
5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine
CID 71108880
3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4,6,8,11,13,15,17,19(23),20-undecaene
CID 154123002
2-(1-methylindol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 860744
9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 129128192
2,5-di(quinolin-4-yl)-1,3,4-oxadiazole
CID 143438590
N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline
CID 71108554
14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol
CID 146639537
2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 857000
18-oxa-2,9-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),3,5,7,9,11,13,15,19(28),20,22,24,26-tridecaene
CID 176752880

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole (CID 90086769) is 2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole is c1ccc2c(c1)nc1c3ccccc3c(-c3nnc(-c4cn5c6ccccc6nc5c5ccccc45)o3)cn21.
What is the InChIKey of 2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole?
The InChIKey is MNOCZBWVSZKADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N6O/c1-3-11-21-19(9-1)23(17-37-27-15-7-5-13-25(27)33-29(21)37)31-35-36-32(39-31)24-18-38-28-16-8-6-14-26(28)34-30(38)22-12-4-2-10-20(22)24/h1-18H.
What are the key properties of 2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole?
2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole has a molecular weight of 502.54 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 90086769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).