2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile

C12H7N5 — CID 104720647

IUPAC2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3ccnnc3)nc12
InChIInChI=1S/C12H7N5/c13-6-8-2-1-3-10-11(8)17-12(16-10)9-4-5-14-15-7-9/h1-5,7H,(H,16,17)
InChIKeyQRQVYZVXXCZLMM-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.89
Rot. Bonds1

About 2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile

2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile (PubChem CID 104720647) has the molecular formula C12H7N5 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile
PubChem CID104720647
Molecular FormulaC12H7N5
Molecular Weight221.22 g/mol
Exact Mass221.07
IUPAC Name2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2[nH]c(-c3ccnnc3)nc12
InChIInChI=1S/C12H7N5/c13-6-8-2-1-3-10-11(8)17-12(16-10)9-4-5-14-15-7-9/h1-5,7H,(H,16,17)
InChIKeyQRQVYZVXXCZLMM-UHFFFAOYSA-N
XLogP1.89
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile (CID 104720647) is 2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile is N#Cc1cccc2[nH]c(-c3ccnnc3)nc12.
What is the InChIKey of 2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile?
The InChIKey is QRQVYZVXXCZLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5/c13-6-8-2-1-3-10-11(8)17-12(16-10)9-4-5-14-15-7-9/h1-5,7H,(H,16,17).
What are the key properties of 2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile?
2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile has a molecular weight of 221.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-4-yl-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).