[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone

C27H26FN3O2 — CID 44523878

IUPAC[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C27H26FN3O2/c1-17(32)25-4-2-3-15-31(25)27(33)21-11-7-19(8-12-21)18-5-9-20(10-6-18)26-29-23-14-13-22(28)16-24(23)30-26/h5-14,16-17,25,32H,2-4,15H2,1H3,(H,29,30)
InChIKeyLFLWFUKVHCOBTD-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.41
Rot. Bonds4

About [4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone

[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 44523878) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is [4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID44523878
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C27H26FN3O2/c1-17(32)25-4-2-3-15-31(25)27(33)21-11-7-19(8-12-21)18-5-9-20(10-6-18)26-29-23-14-13-22(28)16-24(23)30-26/h5-14,16-17,25,32H,2-4,15H2,1H3,(H,29,30)
InChIKeyLFLWFUKVHCOBTD-UHFFFAOYSA-N
XLogP5.41
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone 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 [4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 44523878) is [4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1.
What is the InChIKey of [4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is LFLWFUKVHCOBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-17(32)25-4-2-3-15-31(25)27(33)21-11-7-19(8-12-21)18-5-9-20(10-6-18)26-29-23-14-13-22(28)16-24(23)30-26/h5-14,16-17,25,32H,2-4,15H2,1H3,(H,29,30).
What are the key properties of [4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone?
[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 443.52 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 44523878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).