1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole

C14H11FN4 — CID 135186252

IUPAC1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole
SMILESFc1ccc2nc(-c3ccnnc3)n(C3CC3)c2c1
InChIInChI=1S/C14H11FN4/c15-10-1-4-12-13(7-10)19(11-2-3-11)14(18-12)9-5-6-16-17-8-9/h1,4-8,11H,2-3H2
InChIKeyUEYHDTZWMYAJCW-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.97
Rot. Bonds2

About 1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole

1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole (PubChem CID 135186252) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole
PubChem CID135186252
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole
SMILESFc1ccc2nc(-c3ccnnc3)n(C3CC3)c2c1
InChIInChI=1S/C14H11FN4/c15-10-1-4-12-13(7-10)19(11-2-3-11)14(18-12)9-5-6-16-17-8-9/h1,4-8,11H,2-3H2
InChIKeyUEYHDTZWMYAJCW-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole?
The IUPAC name of 1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole (CID 135186252) is 1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole?
The canonical SMILES for 1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole is Fc1ccc2nc(-c3ccnnc3)n(C3CC3)c2c1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole?
The InChIKey is UEYHDTZWMYAJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-10-1-4-12-13(7-10)19(11-2-3-11)14(18-12)9-5-6-16-17-8-9/h1,4-8,11H,2-3H2.
What are the key properties of 1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole?
1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole has a molecular weight of 254.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-2-pyridazin-4-ylbenzimidazole is sourced from PubChem (CID 135186252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).