1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide

C26H20F6N4O2 — CID 71532359

IUPAC1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide
SMILESCCn1cnc2c(C(=O)NCc3ccccc3C(F)(F)F)cc(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C26H20F6N4O2/c1-2-36-14-34-22-18(23(37)33-13-15-7-3-5-9-19(15)25(27,28)29)11-16(12-21(22)36)35-24(38)17-8-4-6-10-20(17)26(30,31)32/h3-12,14H,2,13H2,1H3,(H,33,37)(H,35,38)
InChIKeyJTERZCWERHEHNP-UHFFFAOYSA-N
MW534.46 g/mol
LogP6.28
Rot. Bonds6

About 1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide

1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide (PubChem CID 71532359) has the molecular formula C26H20F6N4O2 and a molecular weight of 534.46 g/mol. Its IUPAC name is 1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide
PubChem CID71532359
Molecular FormulaC26H20F6N4O2
Molecular Weight534.46 g/mol
Exact Mass534.15
IUPAC Name1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide
SMILESCCn1cnc2c(C(=O)NCc3ccccc3C(F)(F)F)cc(NC(=O)c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C26H20F6N4O2/c1-2-36-14-34-22-18(23(37)33-13-15-7-3-5-9-19(15)25(27,28)29)11-16(12-21(22)36)35-24(38)17-8-4-6-10-20(17)26(30,31)32/h3-12,14H,2,13H2,1H3,(H,33,37)(H,35,38)
InChIKeyJTERZCWERHEHNP-UHFFFAOYSA-N
XLogP6.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.46
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide?
The IUPAC name of 1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide (CID 71532359) is 1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide?
The canonical SMILES for 1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide is CCn1cnc2c(C(=O)NCc3ccccc3C(F)(F)F)cc(NC(=O)c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of 1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide?
The InChIKey is JTERZCWERHEHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6N4O2/c1-2-36-14-34-22-18(23(37)33-13-15-7-3-5-9-19(15)25(27,28)29)11-16(12-21(22)36)35-24(38)17-8-4-6-10-20(17)26(30,31)32/h3-12,14H,2,13H2,1H3,(H,33,37)(H,35,38).
What are the key properties of 1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide?
1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide has a molecular weight of 534.46 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 71532359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).