N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

C26H22F3N5O2 — CID 67288994

About N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67288994) has the molecular formula C26H22F3N5O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 67288994
• Molecular Formula: C26H22F3N5O2
• Molecular Weight: 493.49 g/mol
• Exact Mass: 493.17
• IUPAC Name: N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: COCCn1c(NC(=O)c2cn3c(C)cccc3n2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc21
• InChI: InChI=1S/C26H22F3N5O2/c1-16-5-3-8-23-30-21(15-34(16)23)24(35)32-25-31-20-10-9-18(14-22(20)33(25)11-12-36-2)17-6-4-7-19(13-17)26(27,28)29/h3-10,13-15H,11-12H2,1-2H3,(H,31,32,35)
• InChIKey: NNMHZHFKZYLCFM-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 73.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.49
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 67288994) is N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is COCCn1c(NC(=O)c2cn3c(C)cccc3n2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc21.

What is the InChIKey of N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is NNMHZHFKZYLCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2/c1-16-5-3-8-23-30-21(15-34(16)23)24(35)32-25-31-20-10-9-18(14-22(20)33(25)11-12-36-2)17-6-4-7-19(13-17)26(27,28)29/h3-10,13-15H,11-12H2,1-2H3,(H,31,32,35).

What are the key properties of N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?

N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 493.49 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67288994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).