4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine

C30H22N6 — CID 135453498

IUPAC4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine
SMILESc1ccc(CNc2cccc3c(-c4ccc5[nH]nc(-c6nc7ccccc7[nH]6)c5c4)cncc23)cc1
InChIInChI=1S/C30H22N6/c1-2-7-19(8-3-1)16-32-25-12-6-9-21-23(17-31-18-24(21)25)20-13-14-26-22(15-20)29(36-35-26)30-33-27-10-4-5-11-28(27)34-30/h1-15,17-18,32H,16H2,(H,33,34)(H,35,36)
InChIKeyILMFBFRDNYPDKZ-UHFFFAOYSA-N
MW466.55 g/mol
LogP6.93
Rot. Bonds5

About 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine (PubChem CID 135453498) has the molecular formula C30H22N6 and a molecular weight of 466.55 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine
PubChem CID135453498
Molecular FormulaC30H22N6
Molecular Weight466.55 g/mol
Exact Mass466.19
IUPAC Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine
SMILESc1ccc(CNc2cccc3c(-c4ccc5[nH]nc(-c6nc7ccccc7[nH]6)c5c4)cncc23)cc1
InChIInChI=1S/C30H22N6/c1-2-7-19(8-3-1)16-32-25-12-6-9-21-23(17-31-18-24(21)25)20-13-14-26-22(15-20)29(36-35-26)30-33-27-10-4-5-11-28(27)34-30/h1-15,17-18,32H,16H2,(H,33,34)(H,35,36)
InChIKeyILMFBFRDNYPDKZ-UHFFFAOYSA-N
XLogP6.93
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.55
LogP ≤ 56.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide
CID 135453513
N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine
CID 135433078
3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
CID 141037146
3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole
CID 135486180
N-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136509566
N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine
CID 137153838
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136643030
N-[[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137019421
2-(1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820355
3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 11451717
7-pyridin-2-yl-2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 137218647

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine (CID 135453498) is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine is c1ccc(CNc2cccc3c(-c4ccc5[nH]nc(-c6nc7ccccc7[nH]6)c5c4)cncc23)cc1.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine?
The InChIKey is ILMFBFRDNYPDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N6/c1-2-7-19(8-3-1)16-32-25-12-6-9-21-23(17-31-18-24(21)25)20-13-14-26-22(15-20)29(36-35-26)30-33-27-10-4-5-11-28(27)34-30/h1-15,17-18,32H,16H2,(H,33,34)(H,35,36).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine?
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine has a molecular weight of 466.55 g/mol, XLogP of 6.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine is sourced from PubChem (CID 135453498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).