N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C23H17ClF3N3O2 — CID 27034834

About N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 27034834) has the molecular formula C23H17ClF3N3O2 and a molecular weight of 459.86 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
• PubChem CID: 27034834
• Molecular Formula: C23H17ClF3N3O2
• Molecular Weight: 459.86 g/mol
• Exact Mass: 459.10
• IUPAC Name: N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
• SMILES: Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Cl)cc1
• InChI: InChI=1S/C23H17ClF3N3O2/c1-30-12-11-28-21(30)20(14-5-7-17(24)8-6-14)29-22(31)19-10-9-18(32-19)15-3-2-4-16(13-15)23(25,26)27/h2-13,20H,1H3,(H,29,31)/t20-/m0/s1
• InChIKey: HYBMRHBICKXJPH-FQEVSTJZSA-N
• XLogP: 5.87
• TPSA: 60.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.86
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The IUPAC name of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 27034834) is N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The canonical SMILES for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Cl)cc1.

What is the InChIKey of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The InChIKey is HYBMRHBICKXJPH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H17ClF3N3O2/c1-30-12-11-28-21(30)20(14-5-7-17(24)8-6-14)29-22(31)19-10-9-18(32-19)15-3-2-4-16(13-15)23(25,26)27/h2-13,20H,1H3,(H,29,31)/t20-/m0/s1.

What are the key properties of N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?

N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 459.86 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 27034834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).