N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide

C23H18F3N3O3 — CID 67011817

IUPACN-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C23H18F3N3O3/c1-27-22(30)16-7-10-21-20(11-16)28-14-29(21)17-3-2-4-19(12-17)31-13-15-5-8-18(9-6-15)32-23(24,25)26/h2-12,14H,13H2,1H3,(H,27,30)
InChIKeyMCFNYKBWQXXACU-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.86
Rot. Bonds6

About N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide

N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide (PubChem CID 67011817) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
PubChem CID67011817
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC NameN-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C23H18F3N3O3/c1-27-22(30)16-7-10-21-20(11-16)28-14-29(21)17-3-2-4-19(12-17)31-13-15-5-8-18(9-6-15)32-23(24,25)26/h2-12,14H,13H2,1H3,(H,27,30)
InChIKeyMCFNYKBWQXXACU-UHFFFAOYSA-N
XLogP4.86
TPSA65.38 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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 11273057
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
1-[3-[3-(4-fluorophenoxy)propoxy]phenyl]-N-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 11340536
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247
N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 11465893
1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide
CID 11718716
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide
CID 121080183
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132
N-(pyridin-3-ylmethyl)-1-[4-[2-[2-(trifluoromethoxy)phenoxy]ethoxy]phenyl]benzimidazole-5-carboxamide
CID 67011613
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
CID 3447663
1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11328540

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide (CID 67011817) is N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide?
The InChIKey is MCFNYKBWQXXACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c1-27-22(30)16-7-10-21-20(11-16)28-14-29(21)17-3-2-4-19(12-17)31-13-15-5-8-18(9-6-15)32-23(24,25)26/h2-12,14H,13H2,1H3,(H,27,30).
What are the key properties of N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide?
N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide has a molecular weight of 441.41 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 67011817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).