2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile

C14H11N5 — CID 116833204

IUPAC2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile
SMILESCn1cnc2cc(C(C#N)c3cccnn3)ccc21
InChIInChI=1S/C14H11N5/c1-19-9-16-13-7-10(4-5-14(13)19)11(8-15)12-3-2-6-17-18-12/h2-7,9,11H,1H3
InChIKeyZGCTVIVXMGVDIB-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.02
Rot. Bonds2

About 2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile

2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile (PubChem CID 116833204) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile
PubChem CID116833204
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile
SMILESCn1cnc2cc(C(C#N)c3cccnn3)ccc21
InChIInChI=1S/C14H11N5/c1-19-9-16-13-7-10(4-5-14(13)19)11(8-15)12-3-2-6-17-18-12/h2-7,9,11H,1H3
InChIKeyZGCTVIVXMGVDIB-UHFFFAOYSA-N
XLogP2.02
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile?
The IUPAC name of 2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile (CID 116833204) is 2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile.
What is the SMILES notation for 2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile?
The canonical SMILES for 2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile is Cn1cnc2cc(C(C#N)c3cccnn3)ccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile?
The InChIKey is ZGCTVIVXMGVDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-19-9-16-13-7-10(4-5-14(13)19)11(8-15)12-3-2-6-17-18-12/h2-7,9,11H,1H3.
What are the key properties of 2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile?
2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile is sourced from PubChem (CID 116833204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).