(4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone

C23H24F3N3O2 — CID 46090269

IUPAC(4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCCCOc1ccc(C(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)cc1
InChIInChI=1S/C23H24F3N3O2/c1-2-13-31-19-6-3-16(4-7-19)22(30)28-11-9-18(10-12-28)29-15-27-20-14-17(23(24,25)26)5-8-21(20)29/h3-8,14-15,18H,2,9-13H2,1H3
InChIKeyJUKHFEQOCXQZHR-UHFFFAOYSA-N
MW431.46 g/mol
LogP5.32
Rot. Bonds5

About (4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone

(4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 46090269) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is (4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
PubChem CID46090269
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name(4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCCCOc1ccc(C(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)cc1
InChIInChI=1S/C23H24F3N3O2/c1-2-13-31-19-6-3-16(4-7-19)22(30)28-11-9-18(10-12-28)29-15-27-20-14-17(23(24,25)26)5-8-21(20)29/h3-8,14-15,18H,2,9-13H2,1H3
InChIKeyJUKHFEQOCXQZHR-UHFFFAOYSA-N
XLogP5.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
CID 17249054
cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
CID 110801609
1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26175419
1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 20955888
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108553127
methyl 1-[1-(4-pentoxybenzoyl)piperidin-4-yl]pyrrole-2-carboxylate
CID 52845388
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
[4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164916
(4-propoxyphenyl) 1-(4-bromobenzoyl)piperidine-4-carboxylate
CID 33176953
[4-(triazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121164835
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone (CID 46090269) is (4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone is CCCOc1ccc(C(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)cc1.
What is the InChIKey of (4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is JUKHFEQOCXQZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-2-13-31-19-6-3-16(4-7-19)22(30)28-11-9-18(10-12-28)29-15-27-20-14-17(23(24,25)26)5-8-21(20)29/h3-8,14-15,18H,2,9-13H2,1H3.
What are the key properties of (4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
(4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 431.46 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46090269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).