1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide

C24H20F3N3O3 — CID 166634223

IUPAC1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccccc1Cn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C24H20F3N3O3/c1-33-21-9-5-3-7-17(21)14-30-20-11-10-15(12-19(20)29-23(30)32)22(31)28-13-16-6-2-4-8-18(16)24(25,26)27/h2-12H,13-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyQNVAIUUXXNISRK-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.34
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide

1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 166634223) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID166634223
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccccc1Cn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C24H20F3N3O3/c1-33-21-9-5-3-7-17(21)14-30-20-11-10-15(12-19(20)29-23(30)32)22(31)28-13-16-6-2-4-8-18(16)24(25,26)27/h2-12H,13-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyQNVAIUUXXNISRK-UHFFFAOYSA-N
XLogP4.34
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide (CID 166634223) is 1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide is COc1ccccc1Cn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3C(F)(F)F)ccc21.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is QNVAIUUXXNISRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c1-33-21-9-5-3-7-17(21)14-30-20-11-10-15(12-19(20)29-23(30)32)22(31)28-13-16-6-2-4-8-18(16)24(25,26)27/h2-12H,13-14H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 166634223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).