N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide

C22H16F3N3O2 — CID 146022167

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H16F3N3O2/c23-22(24,25)15-8-10-16(11-9-15)30-17-5-3-4-14(12-17)21(29)26-13-20-27-18-6-1-2-7-19(18)28-20/h1-12H,13H2,(H,26,29)(H,27,28)
InChIKeyBJNZGWZGFDJCKH-UHFFFAOYSA-N
MW411.38 g/mol
LogP5.30
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide

N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide (PubChem CID 146022167) has the molecular formula C22H16F3N3O2 and a molecular weight of 411.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide
PubChem CID146022167
Molecular FormulaC22H16F3N3O2
Molecular Weight411.38 g/mol
Exact Mass411.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H16F3N3O2/c23-22(24,25)15-8-10-16(11-9-15)30-17-5-3-4-14(12-17)21(29)26-13-20-27-18-6-1-2-7-19(18)28-20/h1-12H,13H2,(H,26,29)(H,27,28)
InChIKeyBJNZGWZGFDJCKH-UHFFFAOYSA-N
XLogP5.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.38
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
CID 21008909
N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
CID 117088058
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
3-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 70065972
3-phenoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 117074450

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide (CID 146022167) is N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide is O=C(NCc1nc2ccccc2[nH]1)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is BJNZGWZGFDJCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2/c23-22(24,25)15-8-10-16(11-9-15)30-17-5-3-4-14(12-17)21(29)26-13-20-27-18-6-1-2-7-19(18)28-20/h1-12H,13H2,(H,26,29)(H,27,28).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide?
N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 411.38 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 146022167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).