9-phenylbenzimidazolo[2,1-a]isoquinoline

C21H14N2 — CID 58518009

IUPAC9-phenylbenzimidazolo[2,1-a]isoquinoline
SMILESc1ccc(-c2ccc3nc4c5ccccc5ccn4c3c2)cc1
InChIInChI=1S/C21H14N2/c1-2-6-15(7-3-1)17-10-11-19-20(14-17)23-13-12-16-8-4-5-9-18(16)21(23)22-19/h1-14H
InChIKeyFNDOOOSNNYVBCY-UHFFFAOYSA-N
MW294.36 g/mol
LogP5.31
Rot. Bonds1

About 9-phenylbenzimidazolo[2,1-a]isoquinoline

9-phenylbenzimidazolo[2,1-a]isoquinoline (PubChem CID 58518009) has the molecular formula C21H14N2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 9-phenylbenzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name9-phenylbenzimidazolo[2,1-a]isoquinoline
PubChem CID58518009
Molecular FormulaC21H14N2
Molecular Weight294.36 g/mol
Exact Mass294.12
IUPAC Name9-phenylbenzimidazolo[2,1-a]isoquinoline
SMILESc1ccc(-c2ccc3nc4c5ccccc5ccn4c3c2)cc1
InChIInChI=1S/C21H14N2/c1-2-6-15(7-3-1)17-10-11-19-20(14-17)23-13-12-16-8-4-5-9-18(16)21(23)22-19/h1-14H
InChIKeyFNDOOOSNNYVBCY-UHFFFAOYSA-N
XLogP5.31
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzimidazolo[2,1-a]isoquinoline;ethane
CID 156745272
N,N-diphenyl-4-(5-phenylbenzimidazolo[2,1-a]isoquinolin-9-yl)aniline
CID 71108554
3-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068529
7-tert-butyl-3,10-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
CID 58517904
13-phenyl-3,10,23,30-tetrazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
CID 138474670
7-phenyl-3,10,17-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4(9),5,7,11,13,15,19,21,23-undecaene-18-thione
CID 165126097
3-methyl-2-phenylimidazo[2,1-a]isoquinoline
CID 757851
2-methyl-3-phenylimidazo[2,1-a]isoquinoline
CID 58517681
7-(3-phenylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole
CID 126749602
13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 71230060
11-diphenylphosphoryl-17-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene
CID 134336504
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 70807705

Frequently Asked Questions

What is the IUPAC name of 9-phenylbenzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 9-phenylbenzimidazolo[2,1-a]isoquinoline (CID 58518009) is 9-phenylbenzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 9-phenylbenzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 9-phenylbenzimidazolo[2,1-a]isoquinoline is c1ccc(-c2ccc3nc4c5ccccc5ccn4c3c2)cc1.
What is the InChIKey of 9-phenylbenzimidazolo[2,1-a]isoquinoline?
The InChIKey is FNDOOOSNNYVBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2/c1-2-6-15(7-3-1)17-10-11-19-20(14-17)23-13-12-16-8-4-5-9-18(16)21(23)22-19/h1-14H.
What are the key properties of 9-phenylbenzimidazolo[2,1-a]isoquinoline?
9-phenylbenzimidazolo[2,1-a]isoquinoline has a molecular weight of 294.36 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylbenzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 58518009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).