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

C16H12F3N3O2 — CID 45494073

IUPAC4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C16H12F3N3O2/c1-24-11-5-2-9(3-6-11)14(23)20-10-4-7-12-13(8-10)22-15(21-12)16(17,18)19/h2-8H,1H3,(H,20,23)(H,21,22)
InChIKeyQSENETMEFBFVPR-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.84
Rot. Bonds3

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

4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 45494073) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID45494073
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C16H12F3N3O2/c1-24-11-5-2-9(3-6-11)14(23)20-10-4-7-12-13(8-10)22-15(21-12)16(17,18)19/h2-8H,1H3,(H,20,23)(H,21,22)
InChIKeyQSENETMEFBFVPR-UHFFFAOYSA-N
XLogP3.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71690232
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
CID 55829867
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
CID 55731133
N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368058
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
CID 83450578
2-[ethyl-[2-oxo-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]amino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 55832516
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
CID 71009349
N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71689923
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide (CID 45494073) is 4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide is COc1ccc(C(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is QSENETMEFBFVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-24-11-5-2-9(3-6-11)14(23)20-10-4-7-12-13(8-10)22-15(21-12)16(17,18)19/h2-8H,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide?
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 335.29 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 45494073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).