2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide

C25H18N6 — CID 42630835

IUPAC2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc4nc(-c5ccc6ccccc6c5)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C25H18N6/c26-23(27)16-7-9-19-21(12-16)30-25(29-19)18-8-10-20-22(13-18)31-24(28-20)17-6-5-14-3-1-2-4-15(14)11-17/h1-13H,(H3,26,27)(H,28,31)(H,29,30)
InChIKeyXQUAKYBJIRUAHU-UHFFFAOYSA-N
MW402.46 g/mol
LogP5.21
Rot. Bonds3

About 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide

2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide (PubChem CID 42630835) has the molecular formula C25H18N6 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide
PubChem CID42630835
Molecular FormulaC25H18N6
Molecular Weight402.46 g/mol
Exact Mass402.16
IUPAC Name2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc4nc(-c5ccc6ccccc6c5)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C25H18N6/c26-23(27)16-7-9-19-21(12-16)30-25(29-19)18-8-10-20-22(13-18)31-24(28-20)17-6-5-14-3-1-2-4-15(14)11-17/h1-13H,(H3,26,27)(H,28,31)(H,29,30)
InChIKeyXQUAKYBJIRUAHU-UHFFFAOYSA-N
XLogP5.21
TPSA107.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 55.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide (CID 42630835) is 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ccc4nc(-c5ccc6ccccc6c5)[nH]c4c3)[nH]c2c1.
What is the InChIKey of 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is XQUAKYBJIRUAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6/c26-23(27)16-7-9-19-21(12-16)30-25(29-19)18-8-10-20-22(13-18)31-24(28-20)17-6-5-14-3-1-2-4-15(14)11-17/h1-13H,(H3,26,27)(H,28,31)(H,29,30).
What are the key properties of 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide?
2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 402.46 g/mol, XLogP of 5.21, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 42630835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).