cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone

C25H28F3N3O2 — CID 168861150

IUPACcyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1cccc2c1N(Cc1ccccc1C(F)(F)F)CN2C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H28F3N3O2/c1-33-22-8-4-7-21-23(22)30(15-18-5-2-3-6-20(18)25(26,27)28)16-31(21)19-11-13-29(14-12-19)24(32)17-9-10-17/h2-8,17,19H,9-16H2,1H3
InChIKeyPVQISHIKHYBKJB-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.90
Rot. Bonds5

About cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 168861150) has the molecular formula C25H28F3N3O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone
PubChem CID168861150
Molecular FormulaC25H28F3N3O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Namecyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1cccc2c1N(Cc1ccccc1C(F)(F)F)CN2C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C25H28F3N3O2/c1-33-22-8-4-7-21-23(22)30(15-18-5-2-3-6-20(18)25(26,27)28)16-31(21)19-11-13-29(14-12-19)24(32)17-9-10-17/h2-8,17,19H,9-16H2,1H3
InChIKeyPVQISHIKHYBKJB-UHFFFAOYSA-N
XLogP4.90
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone (CID 168861150) is cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone is COc1cccc2c1N(Cc1ccccc1C(F)(F)F)CN2C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is PVQISHIKHYBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2/c1-33-22-8-4-7-21-23(22)30(15-18-5-2-3-6-20(18)25(26,27)28)16-31(21)19-11-13-29(14-12-19)24(32)17-9-10-17/h2-8,17,19H,9-16H2,1H3.
What are the key properties of cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 459.51 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-benzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 168861150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).