N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide

C25H22F2N4O2 — CID 154685972

IUPACN-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)o1
InChIInChI=1S/C25H22F2N4O2/c26-17-7-5-16(6-8-17)23-24(31(15-29-23)18-11-13-28-14-12-18)21-9-10-22(33-21)25(32)30-20-4-2-1-3-19(20)27/h1-10,15,18,28H,11-14H2,(H,30,32)
InChIKeyMQYVDLRYHQIXBD-UHFFFAOYSA-N
MW448.47 g/mol
LogP5.27
Rot. Bonds5

About N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide

N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide (PubChem CID 154685972) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide
PubChem CID154685972
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC NameN-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)o1
InChIInChI=1S/C25H22F2N4O2/c26-17-7-5-16(6-8-17)23-24(31(15-29-23)18-11-13-28-14-12-18)21-9-10-22(33-21)25(32)30-20-4-2-1-3-19(20)27/h1-10,15,18,28H,11-14H2,(H,30,32)
InChIKeyMQYVDLRYHQIXBD-UHFFFAOYSA-N
XLogP5.27
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.47
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide 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 N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide (CID 154685972) is N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)o1.
What is the InChIKey of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide?
The InChIKey is MQYVDLRYHQIXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c26-17-7-5-16(6-8-17)23-24(31(15-29-23)18-11-13-28-14-12-18)21-9-10-22(33-21)25(32)30-20-4-2-1-3-19(20)27/h1-10,15,18,28H,11-14H2,(H,30,32).
What are the key properties of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide?
N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).