4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide

C23H18F3N3O3 — CID 44527253

IUPAC4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
SMILESCOc1ccc2ncn(-c3ccc(C(N)=O)c(OCc4ccccc4C(F)(F)F)c3)c2c1
InChIInChI=1S/C23H18F3N3O3/c1-31-16-7-9-19-20(11-16)29(13-28-19)15-6-8-17(22(27)30)21(10-15)32-12-14-4-2-3-5-18(14)23(24,25)26/h2-11,13H,12H2,1H3,(H2,27,30)
InChIKeyCVBAMKNFQQJEIV-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.73
Rot. Bonds6

About 4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide

4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide (PubChem CID 44527253) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is 4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
PubChem CID44527253
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC Name4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
SMILESCOc1ccc2ncn(-c3ccc(C(N)=O)c(OCc4ccccc4C(F)(F)F)c3)c2c1
InChIInChI=1S/C23H18F3N3O3/c1-31-16-7-9-19-20(11-16)29(13-28-19)15-6-8-17(22(27)30)21(10-15)32-12-14-4-2-3-5-18(14)23(24,25)26/h2-11,13H,12H2,1H3,(H2,27,30)
InChIKeyCVBAMKNFQQJEIV-UHFFFAOYSA-N
XLogP4.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide?
The IUPAC name of 4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide (CID 44527253) is 4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide.
What is the SMILES notation for 4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide?
The canonical SMILES for 4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide is COc1ccc2ncn(-c3ccc(C(N)=O)c(OCc4ccccc4C(F)(F)F)c3)c2c1.
What is the InChIKey of 4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide?
The InChIKey is CVBAMKNFQQJEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c1-31-16-7-9-19-20(11-16)29(13-28-19)15-6-8-17(22(27)30)21(10-15)32-12-14-4-2-3-5-18(14)23(24,25)26/h2-11,13H,12H2,1H3,(H2,27,30).
What are the key properties of 4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide?
4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide has a molecular weight of 441.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxybenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 44527253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).