N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine

C24H20Cl2F6N4 — CID 20780044

About N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine

N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine (PubChem CID 20780044) has the molecular formula C24H20Cl2F6N4 and a molecular weight of 549.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

• Compound Name: N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine
• PubChem CID: 20780044
• Molecular Formula: C24H20Cl2F6N4
• Molecular Weight: 549.35 g/mol
• Exact Mass: 548.10
• IUPAC Name: N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine
• SMILES: FC(F)(F)CN(Cc1c(C(F)(F)F)nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n12)CC1CCC1
• InChI: InChI=1S/C24H20Cl2F6N4/c25-15-8-9-17(16(26)10-15)35-18-6-1-2-7-19(18)36-20(21(24(30,31)32)33-22(35)36)12-34(13-23(27,28)29)11-14-4-3-5-14/h1-2,6-10,14H,3-5,11-13H2
• InChIKey: CRPUBKKDVWLUOR-UHFFFAOYSA-N
• XLogP: 7.77
• TPSA: 25.47 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.35
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine?

The IUPAC name of N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine (CID 20780044) is N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine.

What is the SMILES notation for N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine?

The canonical SMILES for N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CN(Cc1c(C(F)(F)F)nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3n12)CC1CCC1.

What is the InChIKey of N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine?

The InChIKey is CRPUBKKDVWLUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F6N4/c25-15-8-9-17(16(26)10-15)35-18-6-1-2-7-19(18)36-20(21(24(30,31)32)33-22(35)36)12-34(13-23(27,28)29)11-14-4-3-5-14/h1-2,6-10,14H,3-5,11-13H2.

What are the key properties of N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine?

N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine has a molecular weight of 549.35 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 20780044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).