2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one

C23H23ClFN5O — CID 146569148

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one
SMILESO=c1c(CCc2ccc(F)cc2)c(C2CCNCC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H23ClFN5O/c24-16-4-8-19-20(13-16)28-23(27-19)30-22(31)18(7-3-14-1-5-17(25)6-2-14)21(29-30)15-9-11-26-12-10-15/h1-2,4-6,8,13,15,26,29H,3,7,9-12H2,(H,27,28)
InChIKeyFZEHACPVIQWPHL-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.09
Rot. Bonds5

About 2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one

2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one (PubChem CID 146569148) has the molecular formula C23H23ClFN5O and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one
PubChem CID146569148
Molecular FormulaC23H23ClFN5O
Molecular Weight439.92 g/mol
Exact Mass439.16
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one
SMILESO=c1c(CCc2ccc(F)cc2)c(C2CCNCC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H23ClFN5O/c24-16-4-8-19-20(13-16)28-23(27-19)30-22(31)18(7-3-14-1-5-17(25)6-2-14)21(29-30)15-9-11-26-12-10-15/h1-2,4-6,8,13,15,26,29H,3,7,9-12H2,(H,27,28)
InChIKeyFZEHACPVIQWPHL-UHFFFAOYSA-N
XLogP4.09
TPSA78.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one 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-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one (CID 146569148) is 2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one is O=c1c(CCc2ccc(F)cc2)c(C2CCNCC2)[nH]n1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one?
The InChIKey is FZEHACPVIQWPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O/c24-16-4-8-19-20(13-16)28-23(27-19)30-22(31)18(7-3-14-1-5-17(25)6-2-14)21(29-30)15-9-11-26-12-10-15/h1-2,4-6,8,13,15,26,29H,3,7,9-12H2,(H,27,28).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one?
2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one has a molecular weight of 439.92 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-piperidin-4-yl-1H-pyrazol-3-one is sourced from PubChem (CID 146569148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).