1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C24H19F4N3O3 — CID 166630441

IUPAC1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3Cc2cccc(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F4N3O3/c1-34-18-7-5-16(19(11-18)24(26,27)28)12-29-22(32)15-6-8-21-20(10-15)30-23(33)31(21)13-14-3-2-4-17(25)9-14/h2-11H,12-13H2,1H3,(H,29,32)(H,30,33)
InChIKeyKJAMPXCVWNHZDN-UHFFFAOYSA-N
MW473.43 g/mol
LogP4.47
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 166630441) has the molecular formula C24H19F4N3O3 and a molecular weight of 473.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID166630441
Molecular FormulaC24H19F4N3O3
Molecular Weight473.43 g/mol
Exact Mass473.14
IUPAC Name1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3Cc2cccc(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F4N3O3/c1-34-18-7-5-16(19(11-18)24(26,27)28)12-29-22(32)15-6-8-21-20(10-15)30-23(33)31(21)13-14-3-2-4-17(25)9-14/h2-11H,12-13H2,1H3,(H,29,32)(H,30,33)
InChIKeyKJAMPXCVWNHZDN-UHFFFAOYSA-N
XLogP4.47
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 166630441) is 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3Cc2cccc(F)c2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is KJAMPXCVWNHZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O3/c1-34-18-7-5-16(19(11-18)24(26,27)28)12-29-22(32)15-6-8-21-20(10-15)30-23(33)31(21)13-14-3-2-4-17(25)9-14/h2-11H,12-13H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 473.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 166630441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).