3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide

C23H18F3N3O3 — CID 11619091

IUPAC3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cc2)c1
InChIInChI=1S/C23H18F3N3O3/c1-31-17-5-3-4-14(12-17)21(30)27-15-6-8-16(9-7-15)29-20-11-10-18(32-2)13-19(20)28-22(29)23(24,25)26/h3-13H,1-2H3,(H,27,30)
InChIKeyIVXIUBFPDOSNGA-UHFFFAOYSA-N
MW441.41 g/mol
LogP5.31
Rot. Bonds5

About 3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide

3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide (PubChem CID 11619091) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is 3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
PubChem CID11619091
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC Name3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cc2)c1
InChIInChI=1S/C23H18F3N3O3/c1-31-17-5-3-4-14(12-17)21(30)27-15-6-8-16(9-7-15)29-20-11-10-18(32-2)13-19(20)28-22(29)23(24,25)26/h3-13H,1-2H3,(H,27,30)
InChIKeyIVXIUBFPDOSNGA-UHFFFAOYSA-N
XLogP5.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide
CID 59296731
3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
CID 24850023
3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993862
N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide
CID 58993841
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
(2,6-difluorophenyl)methyl-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]azanium
CID 59296701
2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 59004203
2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 143549874
N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70978178
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-[4-[5-methoxy-2-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]-2-nitrobenzamide
CID 143205821

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide (CID 11619091) is 3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The InChIKey is IVXIUBFPDOSNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c1-31-17-5-3-4-14(12-17)21(30)27-15-6-8-16(9-7-15)29-20-11-10-18(32-2)13-19(20)28-22(29)23(24,25)26/h3-13H,1-2H3,(H,27,30).
What are the key properties of 3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide has a molecular weight of 441.41 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 11619091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).