2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide

C18H13N3O — CID 11185301

IUPAC2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1
InChIInChI=1S/C18H13N3O/c19-17(22)13-7-8-15-16(10-13)21-18(20-15)14-6-5-11-3-1-2-4-12(11)9-14/h1-10H,(H2,19,22)(H,20,21)
InChIKeyUDRIAYIARVYTMR-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.48
Rot. Bonds2

About 2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide

2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 11185301) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID11185301
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1
InChIInChI=1S/C18H13N3O/c19-17(22)13-7-8-15-16(10-13)21-18(20-15)14-6-5-11-3-1-2-4-12(11)9-14/h1-10H,(H2,19,22)(H,20,21)
InChIKeyUDRIAYIARVYTMR-UHFFFAOYSA-N
XLogP3.48
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide (CID 11185301) is 2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc4ccccc4c3)[nH]c2c1.
What is the InChIKey of 2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is UDRIAYIARVYTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c19-17(22)13-7-8-15-16(10-13)21-18(20-15)14-6-5-11-3-1-2-4-12(11)9-14/h1-10H,(H2,19,22)(H,20,21).
What are the key properties of 2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide?
2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11185301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).