(4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone

C22H24FN3O2 — CID 1469461

IUPAC(4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C22H24FN3O2/c1-3-28-19-7-4-16(5-8-19)22(27)25-12-10-18(11-13-25)26-15(2)24-20-14-17(23)6-9-21(20)26/h4-9,14,18H,3,10-13H2,1-2H3
InChIKeyAZJKXTKKKHBFDR-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.36
Rot. Bonds4

About (4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone

(4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 1469461) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID1469461
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name(4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C22H24FN3O2/c1-3-28-19-7-4-16(5-8-19)22(27)25-12-10-18(11-13-25)26-15(2)24-20-14-17(23)6-9-21(20)26/h4-9,14,18H,3,10-13H2,1-2H3
InChIKeyAZJKXTKKKHBFDR-UHFFFAOYSA-N
XLogP4.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)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-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone (CID 1469461) is (4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is AZJKXTKKKHBFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-3-28-19-7-4-16(5-8-19)22(27)25-12-10-18(11-13-25)26-15(2)24-20-14-17(23)6-9-21(20)26/h4-9,14,18H,3,10-13H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone?
(4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 381.45 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 1469461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).