2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole

C14H12ClFN4 — CID 106896969

IUPAC2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole
SMILESFc1ccc2nc(CCCl)n(Cc3cccnn3)c2c1
InChIInChI=1S/C14H12ClFN4/c15-6-5-14-18-12-4-3-10(16)8-13(12)20(14)9-11-2-1-7-17-19-11/h1-4,7-8H,5-6,9H2
InChIKeyGPWXEZQISJZKNO-UHFFFAOYSA-N
MW290.73 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole

2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole (PubChem CID 106896969) has the molecular formula C14H12ClFN4 and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole
PubChem CID106896969
Molecular FormulaC14H12ClFN4
Molecular Weight290.73 g/mol
Exact Mass290.07
IUPAC Name2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole
SMILESFc1ccc2nc(CCCl)n(Cc3cccnn3)c2c1
InChIInChI=1S/C14H12ClFN4/c15-6-5-14-18-12-4-3-10(16)8-13(12)20(14)9-11-2-1-7-17-19-11/h1-4,7-8H,5-6,9H2
InChIKeyGPWXEZQISJZKNO-UHFFFAOYSA-N
XLogP2.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-6-fluoro-1-[(2-methylpyrimidin-4-yl)methyl]benzimidazole
CID 62377393
5-bromo-2-(2-chloroethyl)-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106897013
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
2-(2-chloroethyl)-6-fluoro-1-[(3-methylphenyl)methyl]benzimidazole
CID 62376867
2-(2-chloroethyl)-5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazole
CID 43666558
6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 115470803
5-[[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 114186588
2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 43666287
5-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420320
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazole
CID 66088069
2-(2-chloroethyl)-1-(dicyclopropylmethyl)-6-fluorobenzimidazole
CID 62376179
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-5-fluorobenzimidazole
CID 62533609

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole (CID 106896969) is 2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole is Fc1ccc2nc(CCCl)n(Cc3cccnn3)c2c1.
What is the InChIKey of 2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole?
The InChIKey is GPWXEZQISJZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4/c15-6-5-14-18-12-4-3-10(16)8-13(12)20(14)9-11-2-1-7-17-19-11/h1-4,7-8H,5-6,9H2.
What are the key properties of 2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole?
2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole has a molecular weight of 290.73 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-6-fluoro-1-(pyridazin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 106896969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).