2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide

C24H17N3O2 — CID 10293093

IUPAC2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc5ccccc5c4)cc3)[nH]c2c1
InChIInChI=1S/C24H17N3O2/c25-23(28)18-8-12-21-22(14-18)27-24(26-21)16-6-9-19(10-7-16)29-20-11-5-15-3-1-2-4-17(15)13-20/h1-14H,(H2,25,28)(H,26,27)
InChIKeyPJGNWTVDWTYPDG-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.27
Rot. Bonds4

About 2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide

2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 10293093) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID10293093
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccc5ccccc5c4)cc3)[nH]c2c1
InChIInChI=1S/C24H17N3O2/c25-23(28)18-8-12-21-22(14-18)27-24(26-21)16-6-9-19(10-7-16)29-20-11-5-15-3-1-2-4-17(15)13-20/h1-14H,(H2,25,28)(H,26,27)
InChIKeyPJGNWTVDWTYPDG-UHFFFAOYSA-N
XLogP5.27
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide (CID 10293093) is 2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(Oc4ccc5ccccc5c4)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is PJGNWTVDWTYPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c25-23(28)18-8-12-21-22(14-18)27-24(26-21)16-6-9-19(10-7-16)29-20-11-5-15-3-1-2-4-17(15)13-20/h1-14H,(H2,25,28)(H,26,27).
What are the key properties of 2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide?
2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-yloxyphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10293093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).