2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol

C17H17FN4O — CID 135186331

IUPAC2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2nc3ccc(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C17H17FN4O/c1-17(2,23)15-7-10(9-19-21-15)16-20-13-6-3-11(18)8-14(13)22(16)12-4-5-12/h3,6-9,12,23H,4-5H2,1-2H3
InChIKeyPCXWENMSPWZPKU-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.19
Rot. Bonds3

About 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol

2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol (PubChem CID 135186331) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol
PubChem CID135186331
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2nc3ccc(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C17H17FN4O/c1-17(2,23)15-7-10(9-19-21-15)16-20-13-6-3-11(18)8-14(13)22(16)12-4-5-12/h3,6-9,12,23H,4-5H2,1-2H3
InChIKeyPCXWENMSPWZPKU-UHFFFAOYSA-N
XLogP3.19
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol?
The IUPAC name of 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol (CID 135186331) is 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol?
The canonical SMILES for 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol is CC(C)(O)c1cc(-c2nc3ccc(F)cc3n2C2CC2)cnn1.
What is the InChIKey of 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol?
The InChIKey is PCXWENMSPWZPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-17(2,23)15-7-10(9-19-21-15)16-20-13-6-3-11(18)8-14(13)22(16)12-4-5-12/h3,6-9,12,23H,4-5H2,1-2H3.
What are the key properties of 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol?
2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol has a molecular weight of 312.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]propan-2-ol is sourced from PubChem (CID 135186331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).