3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline

C25H16N4 — CID 129163699

IUPAC3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline
SMILESc1ccc2cc(-c3ccc4ncc(-c5ccc6nc[nH]c6c5)cc4c3)ncc2c1
InChIInChI=1S/C25H16N4/c1-2-4-19-13-27-24(11-16(19)3-1)18-6-7-22-20(9-18)10-21(14-26-22)17-5-8-23-25(12-17)29-15-28-23/h1-15H,(H,28,29)
InChIKeyKMFOQHDDDPOGBK-UHFFFAOYSA-N
MW372.43 g/mol
LogP5.99
Rot. Bonds2

About 3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline

3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline (PubChem CID 129163699) has the molecular formula C25H16N4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline
PubChem CID129163699
Molecular FormulaC25H16N4
Molecular Weight372.43 g/mol
Exact Mass372.14
IUPAC Name3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline
SMILESc1ccc2cc(-c3ccc4ncc(-c5ccc6nc[nH]c6c5)cc4c3)ncc2c1
InChIInChI=1S/C25H16N4/c1-2-4-19-13-27-24(11-16(19)3-1)18-6-7-22-20(9-18)10-21(14-26-22)17-5-8-23-25(12-17)29-15-28-23/h1-15H,(H,28,29)
InChIKeyKMFOQHDDDPOGBK-UHFFFAOYSA-N
XLogP5.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.43
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
2-[4-(3H-benzimidazol-5-yl)phenyl]-7H-purine
CID 89475023
2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole
CID 11508555
3-azulen-2-ylisoquinoline
CID 139326489
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
2-(3H-benzimidazol-5-yl)phenol
CID 162260962
3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 118543541
6-phenyl-3H-imidazo[4,5-c]pyridine
CID 76848036
5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
CID 82491411
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 163490932
7-isoquinolin-3-yl-N,N-bis(4-quinolin-6-ylphenyl)phenanthren-2-amine
CID 170404787
3-[5-(6-phenylnaphthalen-2-yl)-2-pyridinyl]quinoline
CID 170293247

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline (CID 129163699) is 3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline is c1ccc2cc(-c3ccc4ncc(-c5ccc6nc[nH]c6c5)cc4c3)ncc2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline?
The InChIKey is KMFOQHDDDPOGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4/c1-2-4-19-13-27-24(11-16(19)3-1)18-6-7-22-20(9-18)10-21(14-26-22)17-5-8-23-25(12-17)29-15-28-23/h1-15H,(H,28,29).
What are the key properties of 3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline?
3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline has a molecular weight of 372.43 g/mol, XLogP of 5.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-6-isoquinolin-3-ylquinoline is sourced from PubChem (CID 129163699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).