1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine

C23H25F2N3 — CID 54275909

IUPAC1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine
SMILESFC(F)C1(C2CCN(Cc3ccccc3)CC2)N=CC(Cc2ccccc2)=N1
InChIInChI=1S/C23H25F2N3/c24-22(25)23(26-16-21(27-23)15-18-7-3-1-4-8-18)20-11-13-28(14-12-20)17-19-9-5-2-6-10-19/h1-10,16,20,22H,11-15,17H2
InChIKeyRNKBVXVGKMRMQP-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.63
Rot. Bonds6

About 1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine

1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine (PubChem CID 54275909) has the molecular formula C23H25F2N3 and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine
PubChem CID54275909
Molecular FormulaC23H25F2N3
Molecular Weight381.47 g/mol
Exact Mass381.20
IUPAC Name1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine
SMILESFC(F)C1(C2CCN(Cc3ccccc3)CC2)N=CC(Cc2ccccc2)=N1
InChIInChI=1S/C23H25F2N3/c24-22(25)23(26-16-21(27-23)15-18-7-3-1-4-8-18)20-11-13-28(14-12-20)17-19-9-5-2-6-10-19/h1-10,16,20,22H,11-15,17H2
InChIKeyRNKBVXVGKMRMQP-UHFFFAOYSA-N
XLogP4.63
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 155561050
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)methanimine
CID 155541480
N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine
CID 155548223
N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine
CID 155560617
(E,2R,3S,6S)-2,6-bis(4-fluorophenyl)-N-methoxy-1,3-dimethylpiperidin-4-imine
CID 57398155
(7E)-7-benzylidene-5-methyl-3-phenyl-2-(2,2,2-trifluoroethyl)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
CID 90668475
N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 118119441
1-Benzyl-4-benzyliminopiperidine
CID 13860894
2-Phenyl-1-[3-(trifluoromethyl)-3,4,5,6-tetrahydropyridin-2-yl]piperidine
CID 129842636
3-Benzyl-5-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydroimidazole
CID 138964698
3-Benzyl-5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dihydroimidazole
CID 138964699
1-Benzyl-4-(1-phenylethylimino)piperidine
CID 15402476

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine?
The IUPAC name of 1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine (CID 54275909) is 1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine is FC(F)C1(C2CCN(Cc3ccccc3)CC2)N=CC(Cc2ccccc2)=N1.
What is the InChIKey of 1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine?
The InChIKey is RNKBVXVGKMRMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3/c24-22(25)23(26-16-21(27-23)15-18-7-3-1-4-8-18)20-11-13-28(14-12-20)17-19-9-5-2-6-10-19/h1-10,16,20,22H,11-15,17H2.
What are the key properties of 1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine?
1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine has a molecular weight of 381.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-benzyl-2-(difluoromethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 54275909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).