3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide

C24H20ClF3N4O2 — CID 141097511

About 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide

3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide (PubChem CID 141097511) has the molecular formula C24H20ClF3N4O2 and a molecular weight of 488.90 g/mol. Its IUPAC name is 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide
• PubChem CID: 141097511
• Molecular Formula: C24H20ClF3N4O2
• Molecular Weight: 488.90 g/mol
• Exact Mass: 488.12
• IUPAC Name: 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide
• SMILES: CC1=CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccnc(NC(=O)c2cccc(Cl)c2)c1
• InChI: InChI=1S/C24H20ClF3N4O2/c1-16-13-32(20-5-7-21(8-6-20)34-24(26,27)28)15-31(16)14-17-9-10-29-22(11-17)30-23(33)18-3-2-4-19(25)12-18/h2-13H,14-15H2,1H3,(H,29,30,33)
• InChIKey: QOXUUKXEPLZSSW-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.90
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide?

The IUPAC name of 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide (CID 141097511) is 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide.

What is the SMILES notation for 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide?

The canonical SMILES for 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide is CC1=CN(c2ccc(OC(F)(F)F)cc2)CN1Cc1ccnc(NC(=O)c2cccc(Cl)c2)c1.

What is the InChIKey of 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide?

The InChIKey is QOXUUKXEPLZSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O2/c1-16-13-32(20-5-7-21(8-6-20)34-24(26,27)28)15-31(16)14-17-9-10-29-22(11-17)30-23(33)18-3-2-4-19(25)12-18/h2-13H,14-15H2,1H3,(H,29,30,33).

What are the key properties of 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide?

3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide has a molecular weight of 488.90 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[4-[[5-methyl-3-[4-(trifluoromethoxy)phenyl]-2H-imidazol-1-yl]methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 141097511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).