2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile

C13H8ClN5 — CID 19245622

IUPAC2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile
SMILESN#CC(c1ccc(Cl)nn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H8ClN5/c14-12-6-5-9(18-19-12)8(7-15)13-16-10-3-1-2-4-11(10)17-13/h1-6,8H,(H,16,17)
InChIKeyYYLZGMNLXZHBSS-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.66
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile

2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile (PubChem CID 19245622) has the molecular formula C13H8ClN5 and a molecular weight of 269.70 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile
PubChem CID19245622
Molecular FormulaC13H8ClN5
Molecular Weight269.70 g/mol
Exact Mass269.05
IUPAC Name2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile
SMILESN#CC(c1ccc(Cl)nn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H8ClN5/c14-12-6-5-9(18-19-12)8(7-15)13-16-10-3-1-2-4-11(10)17-13/h1-6,8H,(H,16,17)
InChIKeyYYLZGMNLXZHBSS-UHFFFAOYSA-N
XLogP2.66
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1H-benzimidazol-2-yl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetonitrile
CID 7070824
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-propan-2-yl-1H-benzimidazole
CID 22121
2-chloro-1H-benzimidazole;methane
CID 143998416
2-(1H-benzimidazol-2-yl)-3-(2,4-dichlorophenyl)-3-oxopropanenitrile
CID 2729248
1H-benzimidazole-2-carbonitrile
CID 843858
(2R)-2-(1H-benzimidazol-2-yl)-5,5-dimethyl-3-oxohexanenitrile
CID 51574329
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
CID 21125
CID 161271779
CID 161271779
2-(1H-benzimidazol-2-yl)-4-[[5-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxobutanenitrile
CID 4829491

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile (CID 19245622) is 2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile is N#CC(c1ccc(Cl)nn1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile?
The InChIKey is YYLZGMNLXZHBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5/c14-12-6-5-9(18-19-12)8(7-15)13-16-10-3-1-2-4-11(10)17-13/h1-6,8H,(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile?
2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile has a molecular weight of 269.70 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-2-(6-chloropyridazin-3-yl)acetonitrile is sourced from PubChem (CID 19245622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).