1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone

C26H22F3N3O3 — CID 59326902

IUPAC1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2C2CCC(O)(C(F)(F)F)CC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H22F3N3O3/c27-26(28,29)25(34)13-11-16(12-14-25)19-4-3-15-30-24(19)35-18-9-7-17(8-10-18)22(33)23-31-20-5-1-2-6-21(20)32-23/h1-10,15-16,34H,11-14H2,(H,31,32)
InChIKeyLBNVBXBAFVZARV-UHFFFAOYSA-N
MW481.47 g/mol
LogP5.93
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326902) has the molecular formula C26H22F3N3O3 and a molecular weight of 481.47 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326902
Molecular FormulaC26H22F3N3O3
Molecular Weight481.47 g/mol
Exact Mass481.16
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2C2CCC(O)(C(F)(F)F)CC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H22F3N3O3/c27-26(28,29)25(34)13-11-16(12-14-25)19-4-3-15-30-24(19)35-18-9-7-17(8-10-18)22(33)23-31-20-5-1-2-6-21(20)32-23/h1-10,15-16,34H,11-14H2,(H,31,32)
InChIKeyLBNVBXBAFVZARV-UHFFFAOYSA-N
XLogP5.93
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone (CID 59326902) is 1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2C2CCC(O)(C(F)(F)F)CC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is LBNVBXBAFVZARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O3/c27-26(28,29)25(34)13-11-16(12-14-25)19-4-3-15-30-24(19)35-18-9-7-17(8-10-18)22(33)23-31-20-5-1-2-6-21(20)32-23/h1-10,15-16,34H,11-14H2,(H,31,32).
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 481.47 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[[3-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).