1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine

C22H23ClFN3 — CID 11292039

IUPAC1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine
SMILESCc1ccc(F)cc1Cc1nc(N2CCCCC2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClFN3/c1-16-5-8-19(24)13-17(16)14-21-25-22(26-11-3-2-4-12-26)15-27(21)20-9-6-18(23)7-10-20/h5-10,13,15H,2-4,11-12,14H2,1H3
InChIKeyYPEGCCJPRPUGPO-UHFFFAOYSA-N
MW383.90 g/mol
LogP5.55
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine

1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine (PubChem CID 11292039) has the molecular formula C22H23ClFN3 and a molecular weight of 383.90 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine
PubChem CID11292039
Molecular FormulaC22H23ClFN3
Molecular Weight383.90 g/mol
Exact Mass383.16
IUPAC Name1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine
SMILESCc1ccc(F)cc1Cc1nc(N2CCCCC2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClFN3/c1-16-5-8-19(24)13-17(16)14-21-25-22(26-11-3-2-4-12-26)15-27(21)20-9-6-18(23)7-10-20/h5-10,13,15H,2-4,11-12,14H2,1H3
InChIKeyYPEGCCJPRPUGPO-UHFFFAOYSA-N
XLogP5.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine (CID 11292039) is 1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine is Cc1ccc(F)cc1Cc1nc(N2CCCCC2)cn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine?
The InChIKey is YPEGCCJPRPUGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3/c1-16-5-8-19(24)13-17(16)14-21-25-22(26-11-3-2-4-12-26)15-27(21)20-9-6-18(23)7-10-20/h5-10,13,15H,2-4,11-12,14H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine?
1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine has a molecular weight of 383.90 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 11292039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).