N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide

C14H12N4O — CID 651000

IUPACN-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C14H12N4O/c1-9(19)16-10-5-6-11-13(8-10)18-14(17-11)12-4-2-3-7-15-12/h2-8H,1H3,(H,16,19)(H,17,18)
InChIKeyVLMRMMBFKKBUNP-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.58
Rot. Bonds2

About N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide

N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide (PubChem CID 651000) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
PubChem CID651000
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C14H12N4O/c1-9(19)16-10-5-6-11-13(8-10)18-14(17-11)12-4-2-3-7-15-12/h2-8H,1H3,(H,16,19)(H,17,18)
InChIKeyVLMRMMBFKKBUNP-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide (CID 651000) is N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide is CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is VLMRMMBFKKBUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9(19)16-10-5-6-11-13(8-10)18-14(17-11)12-4-2-3-7-15-12/h2-8H,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide?
N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 651000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).