4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine

C26H27FN4 — CID 70998319

IUPAC4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(C2N=C(C3CCN(Cc4ccccc4)CC3)NC2c2ccncc2)cc1
InChIInChI=1S/C26H27FN4/c27-23-8-6-20(7-9-23)24-25(21-10-14-28-15-11-21)30-26(29-24)22-12-16-31(17-13-22)18-19-4-2-1-3-5-19/h1-11,14-15,22,24-25H,12-13,16-18H2,(H,29,30)
InChIKeyCHVSZAARKHUBDF-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.92
Rot. Bonds5

About 4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine

4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine (PubChem CID 70998319) has the molecular formula C26H27FN4 and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine
PubChem CID70998319
Molecular FormulaC26H27FN4
Molecular Weight414.53 g/mol
Exact Mass414.22
IUPAC Name4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(C2N=C(C3CCN(Cc4ccccc4)CC3)NC2c2ccncc2)cc1
InChIInChI=1S/C26H27FN4/c27-23-8-6-20(7-9-23)24-25(21-10-14-28-15-11-21)30-26(29-24)22-12-16-31(17-13-22)18-19-4-2-1-3-5-19/h1-11,14-15,22,24-25H,12-13,16-18H2,(H,29,30)
InChIKeyCHVSZAARKHUBDF-UHFFFAOYSA-N
XLogP4.92
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 95871341
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 16669618
[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
CID 18723469
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
1-[2-(1-benzylpyrrolidin-3-ylidene)ethyl]-4-(4-fluorophenyl)piperidine
CID 142015008

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine (CID 70998319) is 4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine is Fc1ccc(C2N=C(C3CCN(Cc4ccccc4)CC3)NC2c2ccncc2)cc1.
What is the InChIKey of 4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine?
The InChIKey is CHVSZAARKHUBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4/c27-23-8-6-20(7-9-23)24-25(21-10-14-28-15-11-21)30-26(29-24)22-12-16-31(17-13-22)18-19-4-2-1-3-5-19/h1-11,14-15,22,24-25H,12-13,16-18H2,(H,29,30).
What are the key properties of 4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine?
4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine has a molecular weight of 414.53 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzylpiperidin-4-yl)-4-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 70998319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).