N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide

C25H22F2N4O2 — CID 154685919

IUPACN-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCNC2)o1
InChIInChI=1S/C25H22F2N4O2/c26-18-7-5-17(6-8-18)23-24(31(15-29-23)14-16-11-12-28-13-16)21-9-10-22(33-21)25(32)30-20-4-2-1-3-19(20)27/h1-10,15-16,28H,11-14H2,(H,30,32)
InChIKeyZQXKOPJUMOPISV-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.95
Rot. Bonds6

About N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide

N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 154685919) 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-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID154685919
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC NameN-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCNC2)o1
InChIInChI=1S/C25H22F2N4O2/c26-18-7-5-17(6-8-18)23-24(31(15-29-23)14-16-11-12-28-13-16)21-9-10-22(33-21)25(32)30-20-4-2-1-3-19(20)27/h1-10,15-16,28H,11-14H2,(H,30,32)
InChIKeyZQXKOPJUMOPISV-UHFFFAOYSA-N
XLogP4.95
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide (CID 154685919) is N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCNC2)o1.
What is the InChIKey of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is ZQXKOPJUMOPISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c26-18-7-5-17(6-8-18)23-24(31(15-29-23)14-16-11-12-28-13-16)21-9-10-22(33-21)25(32)30-20-4-2-1-3-19(20)27/h1-10,15-16,28H,11-14H2,(H,30,32).
What are the key properties of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide?
N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 4.95, 6 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-(pyrrolidin-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).