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

C25H17N5O — CID 10739920

IUPAC2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc4nc(-c5ccc6ccccc6c5)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C25H17N5O/c26-23(31)16-7-9-19-21(12-16)29-25(28-19)18-8-10-20-22(13-18)30-24(27-20)17-6-5-14-3-1-2-4-15(14)11-17/h1-13H,(H2,26,31)(H,27,30)(H,28,29)
InChIKeyFYKAFTYDQTWCIZ-UHFFFAOYSA-N
MW403.45 g/mol
LogP5.03
Rot. Bonds3

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

2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 10739920) has the molecular formula C25H17N5O and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
PubChem CID10739920
Molecular FormulaC25H17N5O
Molecular Weight403.45 g/mol
Exact Mass403.14
IUPAC Name2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc4nc(-c5ccc6ccccc6c5)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C25H17N5O/c26-23(31)16-7-9-19-21(12-16)29-25(28-19)18-8-10-20-22(13-18)30-24(27-20)17-6-5-14-3-1-2-4-15(14)11-17/h1-13H,(H2,26,31)(H,27,30)(H,28,29)
InChIKeyFYKAFTYDQTWCIZ-UHFFFAOYSA-N
XLogP5.03
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-carboxamide?
The IUPAC name of 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide (CID 10739920) is 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc4nc(-c5ccc6ccccc6c5)[nH]c4c3)[nH]c2c1.
What is the InChIKey of 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is FYKAFTYDQTWCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O/c26-23(31)16-7-9-19-21(12-16)29-25(28-19)18-8-10-20-22(13-18)30-24(27-20)17-6-5-14-3-1-2-4-15(14)11-17/h1-13H,(H2,26,31)(H,27,30)(H,28,29).
What are the key properties of 2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide?
2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 5.03, 3 rotatable bonds, 3 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-carboxamide is sourced from PubChem (CID 10739920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).