N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide

C27H26F3N3O2 — CID 53383222

IUPACN-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccc(C(C(=O)NC(C)(C)C)n2c(-c3ccc(C(F)(F)F)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H26F3N3O2/c1-26(2,3)32-25(34)23(17-11-15-20(35-4)16-12-17)33-22-8-6-5-7-21(22)31-24(33)18-9-13-19(14-10-18)27(28,29)30/h5-16,23H,1-4H3,(H,32,34)
InChIKeyVHVHSIIRACKCGY-UHFFFAOYSA-N
MW481.52 g/mol
LogP6.23
Rot. Bonds5

About N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide

N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide (PubChem CID 53383222) has the molecular formula C27H26F3N3O2 and a molecular weight of 481.52 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide
PubChem CID53383222
Molecular FormulaC27H26F3N3O2
Molecular Weight481.52 g/mol
Exact Mass481.20
IUPAC NameN-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide
SMILESCOc1ccc(C(C(=O)NC(C)(C)C)n2c(-c3ccc(C(F)(F)F)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H26F3N3O2/c1-26(2,3)32-25(34)23(17-11-15-20(35-4)16-12-17)33-22-8-6-5-7-21(22)31-24(33)18-9-13-19(14-10-18)27(28,29)30/h5-16,23H,1-4H3,(H,32,34)
InChIKeyVHVHSIIRACKCGY-UHFFFAOYSA-N
XLogP6.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide (CID 53383222) is N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide is COc1ccc(C(C(=O)NC(C)(C)C)n2c(-c3ccc(C(F)(F)F)cc3)nc3ccccc32)cc1.
What is the InChIKey of N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide?
The InChIKey is VHVHSIIRACKCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O2/c1-26(2,3)32-25(34)23(17-11-15-20(35-4)16-12-17)33-22-8-6-5-7-21(22)31-24(33)18-9-13-19(14-10-18)27(28,29)30/h5-16,23H,1-4H3,(H,32,34).
What are the key properties of N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide?
N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide has a molecular weight of 481.52 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methoxyphenyl)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 53383222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).