5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline

C30H20N4 — CID 71108799

IUPAC5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline
SMILESC1=c2nc3c4ccccc4c(-c4cn5c6ccccc6nc5c5ccccc45)cn3c2=CCC1
InChIInChI=1S/C30H20N4/c1-3-11-21-19(9-1)23(17-33-27-15-7-5-13-25(27)31-29(21)33)24-18-34-28-16-8-6-14-26(28)32-30(34)22-12-4-2-10-20(22)24/h1-5,7,9-18H,6,8H2
InChIKeyDQCSVGLQAHLIFH-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.46
Rot. Bonds1

About 5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline

5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline (PubChem CID 71108799) has the molecular formula C30H20N4 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline
PubChem CID71108799
Molecular FormulaC30H20N4
Molecular Weight436.52 g/mol
Exact Mass436.17
IUPAC Name5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline
SMILESC1=c2nc3c4ccccc4c(-c4cn5c6ccccc6nc5c5ccccc45)cn3c2=CCC1
InChIInChI=1S/C30H20N4/c1-3-11-21-19(9-1)23(17-33-27-15-7-5-13-25(27)31-29(21)33)24-18-34-28-16-8-6-14-26(28)32-30(34)22-12-4-2-10-20(22)24/h1-5,7,9-18H,6,8H2
InChIKeyDQCSVGLQAHLIFH-UHFFFAOYSA-N
XLogP5.46
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(benzimidazolo[2,1-a]isoquinolin-5-yl)-1,3,4-oxadiazole
CID 90086769
benzimidazolo[2,1-a]isoquinoline;ethane
CID 156745272
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
N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline
CID 71108554
10-[4-(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-10-yl)naphthalen-1-yl]-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-decaene
CID 58281870
5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 158218688
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 149183864
1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole
CID 51032413
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
11-phenanthren-9-yl-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-decaene
CID 58037741
imidazo[1,2-f]phenanthridin-2-yl(trimethyl)azanium
CID 58162682

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline (CID 71108799) is 5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline is C1=c2nc3c4ccccc4c(-c4cn5c6ccccc6nc5c5ccccc45)cn3c2=CCC1.
What is the InChIKey of 5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline?
The InChIKey is DQCSVGLQAHLIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4/c1-3-11-21-19(9-1)23(17-33-27-15-7-5-13-25(27)31-29(21)33)24-18-34-28-16-8-6-14-26(28)32-30(34)22-12-4-2-10-20(22)24/h1-5,7,9-18H,6,8H2.
What are the key properties of 5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline?
5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline has a molecular weight of 436.52 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-dihydrobenzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 71108799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).