1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide

C23H17F3N4O2 — CID 175909135

IUPAC1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CN(c1nc3cc(-c4ccccc4)c(C(F)(F)F)cc3[nH]1)C2O
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)17-10-19-18(9-15(17)12-5-2-1-3-6-12)28-22(29-19)30-11-16-13(20(27)31)7-4-8-14(16)21(30)32/h1-10,21,32H,11H2,(H2,27,31)(H,28,29)
InChIKeyCWWLFVVJCRHWGB-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.36
Rot. Bonds3

About 1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide

1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide (PubChem CID 175909135) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide.

Molecular Properties

Compound Name1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide
PubChem CID175909135
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CN(c1nc3cc(-c4ccccc4)c(C(F)(F)F)cc3[nH]1)C2O
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)17-10-19-18(9-15(17)12-5-2-1-3-6-12)28-22(29-19)30-11-16-13(20(27)31)7-4-8-14(16)21(30)32/h1-10,21,32H,11H2,(H2,27,31)(H,28,29)
InChIKeyCWWLFVVJCRHWGB-UHFFFAOYSA-N
XLogP4.36
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide?
The IUPAC name of 1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide (CID 175909135) is 1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide.
What is the SMILES notation for 1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide?
The canonical SMILES for 1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide is NC(=O)c1cccc2c1CN(c1nc3cc(-c4ccccc4)c(C(F)(F)F)cc3[nH]1)C2O.
What is the InChIKey of 1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide?
The InChIKey is CWWLFVVJCRHWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c24-23(25,26)17-10-19-18(9-15(17)12-5-2-1-3-6-12)28-22(29-19)30-11-16-13(20(27)31)7-4-8-14(16)21(30)32/h1-10,21,32H,11H2,(H2,27,31)(H,28,29).
What are the key properties of 1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide?
1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide is sourced from PubChem (CID 175909135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).