[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone

C26H22F3N3O2 — CID 44565824

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H22F3N3O2/c27-26(28,29)34-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(33)32-15-13-19(14-16-32)24-30-22-3-1-2-4-23(22)31-24/h1-12,19H,13-16H2,(H,30,31)
InChIKeyCBKPIAWGRIOYGJ-UHFFFAOYSA-N
MW465.48 g/mol
LogP6.15
Rot. Bonds4

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone (PubChem CID 44565824) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
PubChem CID44565824
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H22F3N3O2/c27-26(28,29)34-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(33)32-15-13-19(14-16-32)24-30-22-3-1-2-4-23(22)31-24/h1-12,19H,13-16H2,(H,30,31)
InChIKeyCBKPIAWGRIOYGJ-UHFFFAOYSA-N
XLogP6.15
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone (CID 44565824) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone is O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
The InChIKey is CBKPIAWGRIOYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c27-26(28,29)34-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(33)32-15-13-19(14-16-32)24-30-22-3-1-2-4-23(22)31-24/h1-12,19H,13-16H2,(H,30,31).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone has a molecular weight of 465.48 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone is sourced from PubChem (CID 44565824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).