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

C25H21F2N3O3 — CID 154685971

IUPACN-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCOC2)o1
InChIInChI=1S/C25H21F2N3O3/c26-18-7-5-17(6-8-18)23-24(30(15-28-23)13-16-11-12-32-14-16)21-9-10-22(33-21)25(31)29-20-4-2-1-3-19(20)27/h1-10,15-16H,11-14H2,(H,29,31)
InChIKeyMGTQMPVMKHKJAF-UHFFFAOYSA-N
MW449.46 g/mol
LogP5.38
Rot. Bonds6

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

N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 154685971) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID154685971
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC NameN-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCOC2)o1
InChIInChI=1S/C25H21F2N3O3/c26-18-7-5-17(6-8-18)23-24(30(15-28-23)13-16-11-12-32-14-16)21-9-10-22(33-21)25(31)29-20-4-2-1-3-19(20)27/h1-10,15-16H,11-14H2,(H,29,31)
InChIKeyMGTQMPVMKHKJAF-UHFFFAOYSA-N
XLogP5.38
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
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-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide (CID 154685971) is N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCOC2)o1.
What is the InChIKey of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is MGTQMPVMKHKJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c26-18-7-5-17(6-8-18)23-24(30(15-28-23)13-16-11-12-32-14-16)21-9-10-22(33-21)25(31)29-20-4-2-1-3-19(20)27/h1-10,15-16H,11-14H2,(H,29,31).
What are the key properties of N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide?
N-(2-fluorophenyl)-5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 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-(oxolan-3-ylmethyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).