[4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C25H24F3N5O2 — CID 118757725

IUPAC[4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCOCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C25H24F3N5O2/c1-35-15-23-29-20-13-17(25(26,27)28)7-8-22(20)33(23)18-9-11-32(12-10-18)24(34)21-14-19(30-31-21)16-5-3-2-4-6-16/h2-8,13-14,18H,9-12,15H2,1H3,(H,30,31)
InChIKeyQJIOGRMGVPKOOY-UHFFFAOYSA-N
MW483.49 g/mol
LogP5.07
Rot. Bonds5

About [4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 118757725) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is [4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID118757725
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name[4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCOCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C25H24F3N5O2/c1-35-15-23-29-20-13-17(25(26,27)28)7-8-22(20)33(23)18-9-11-32(12-10-18)24(34)21-14-19(30-31-21)16-5-3-2-4-6-16/h2-8,13-14,18H,9-12,15H2,1H3,(H,30,31)
InChIKeyQJIOGRMGVPKOOY-UHFFFAOYSA-N
XLogP5.07
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-[(2R)-oxolan-2-yl]-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 42481971
2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
CID 118759082
3-(3-fluorophenyl)-1-[4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 74787244
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methanone
CID 46910065
[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 42479295
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methanone
CID 46910066
4-cyclopropyl-2-methyl-5-[1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540597
1-[1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126850998
[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 42479114
cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
CID 1084752
methyl 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264279
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682

Frequently Asked Questions

What is the IUPAC name of [4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 118757725) is [4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is COCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of [4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is QJIOGRMGVPKOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-35-15-23-29-20-13-17(25(26,27)28)7-8-22(20)33(23)18-9-11-32(12-10-18)24(34)21-14-19(30-31-21)16-5-3-2-4-6-16/h2-8,13-14,18H,9-12,15H2,1H3,(H,30,31).
What are the key properties of [4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 483.49 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 118757725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).