N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine

C30H31F3N4 — CID 20780184

IUPACN-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine
SMILESCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12
InChIInChI=1S/C30H31F3N4/c1-5-35(16-15-23-11-7-6-8-12-23)19-26-28(30(31,32)33)34-29-36(26)24-13-9-10-14-25(24)37(29)27-21(3)17-20(2)18-22(27)4/h6-14,17-18H,5,15-16,19H2,1-4H3
InChIKeyGUUTVUZKVDEKJX-UHFFFAOYSA-N
MW504.60 g/mol
LogP7.29
Rot. Bonds7

About N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine

N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine (PubChem CID 20780184) has the molecular formula C30H31F3N4 and a molecular weight of 504.60 g/mol. Its IUPAC name is N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine
PubChem CID20780184
Molecular FormulaC30H31F3N4
Molecular Weight504.60 g/mol
Exact Mass504.25
IUPAC NameN-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine
SMILESCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12
InChIInChI=1S/C30H31F3N4/c1-5-35(16-15-23-11-7-6-8-12-23)19-26-28(30(31,32)33)34-29-36(26)24-13-9-10-14-25(24)37(29)27-21(3)17-20(2)18-22(27)4/h6-14,17-18H,5,15-16,19H2,1-4H3
InChIKeyGUUTVUZKVDEKJX-UHFFFAOYSA-N
XLogP7.29
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine (CID 20780184) is N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine is CCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12.
What is the InChIKey of N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine?
The InChIKey is GUUTVUZKVDEKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N4/c1-5-35(16-15-23-11-7-6-8-12-23)19-26-28(30(31,32)33)34-29-36(26)24-13-9-10-14-25(24)37(29)27-21(3)17-20(2)18-22(27)4/h6-14,17-18H,5,15-16,19H2,1-4H3.
What are the key properties of N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine?
N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine has a molecular weight of 504.60 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]ethanamine is sourced from PubChem (CID 20780184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).