5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide

C16H12N6O2 — CID 11823359

IUPAC5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-n1c(=O)[nH]c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C16H12N6O2/c17-14(23)13-15(20-21-19-13)22-12-7-6-10(8-11(12)18-16(22)24)9-4-2-1-3-5-9/h1-8H,(H2,17,23)(H,18,24)(H,19,20,21)
InChIKeyKEAIYNFTQKZNHO-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.20
Rot. Bonds3

About 5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide

5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide (PubChem CID 11823359) has the molecular formula C16H12N6O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide
PubChem CID11823359
Molecular FormulaC16H12N6O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-n1c(=O)[nH]c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C16H12N6O2/c17-14(23)13-15(20-21-19-13)22-12-7-6-10(8-11(12)18-16(22)24)9-4-2-1-3-5-9/h1-8H,(H2,17,23)(H,18,24)(H,19,20,21)
InChIKeyKEAIYNFTQKZNHO-UHFFFAOYSA-N
XLogP1.20
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide (CID 11823359) is 5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-n1c(=O)[nH]c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide?
The InChIKey is KEAIYNFTQKZNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2/c17-14(23)13-15(20-21-19-13)22-12-7-6-10(8-11(12)18-16(22)24)9-4-2-1-3-5-9/h1-8H,(H2,17,23)(H,18,24)(H,19,20,21).
What are the key properties of 5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide?
5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 11823359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).