1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide

C26H26F3N3O2 — CID 70007165

IUPAC1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide
SMILESCOc1ccc(C(c2nc3ccc(C(F)(F)F)cc3[nH]2)C2(C(N)=O)C(C)=CC(C)=CC2C)cc1
InChIInChI=1S/C26H26F3N3O2/c1-14-11-15(2)25(24(30)33,16(3)12-14)22(17-5-8-19(34-4)9-6-17)23-31-20-10-7-18(26(27,28)29)13-21(20)32-23/h5-13,15,22H,1-4H3,(H2,30,33)(H,31,32)
InChIKeyQKEYFGABFPCVOF-UHFFFAOYSA-N
MW469.51 g/mol
LogP5.74
Rot. Bonds5

About 1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide

1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 70007165) has the molecular formula C26H26F3N3O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide
PubChem CID70007165
Molecular FormulaC26H26F3N3O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide
SMILESCOc1ccc(C(c2nc3ccc(C(F)(F)F)cc3[nH]2)C2(C(N)=O)C(C)=CC(C)=CC2C)cc1
InChIInChI=1S/C26H26F3N3O2/c1-14-11-15(2)25(24(30)33,16(3)12-14)22(17-5-8-19(34-4)9-6-17)23-31-20-10-7-18(26(27,28)29)13-21(20)32-23/h5-13,15,22H,1-4H3,(H2,30,33)(H,31,32)
InChIKeyQKEYFGABFPCVOF-UHFFFAOYSA-N
XLogP5.74
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide (CID 70007165) is 1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide is COc1ccc(C(c2nc3ccc(C(F)(F)F)cc3[nH]2)C2(C(N)=O)C(C)=CC(C)=CC2C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is QKEYFGABFPCVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O2/c1-14-11-15(2)25(24(30)33,16(3)12-14)22(17-5-8-19(34-4)9-6-17)23-31-20-10-7-18(26(27,28)29)13-21(20)32-23/h5-13,15,22H,1-4H3,(H2,30,33)(H,31,32).
What are the key properties of 1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide?
1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-2,4,6-trimethylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70007165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).