1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine

C21H20Cl2FN3 — CID 53317423

IUPAC1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine
SMILESFC1CCN(Cc2cccc(-c3ncc(-c4cccc(Cl)c4Cl)[nH]3)c2)CC1
InChIInChI=1S/C21H20Cl2FN3/c22-18-6-2-5-17(20(18)23)19-12-25-21(26-19)15-4-1-3-14(11-15)13-27-9-7-16(24)8-10-27/h1-6,11-12,16H,7-10,13H2,(H,25,26)
InChIKeyKFTAKMIHRUBOSY-UHFFFAOYSA-N
MW404.32 g/mol
LogP5.98
Rot. Bonds4

About 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine

1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine (PubChem CID 53317423) has the molecular formula C21H20Cl2FN3 and a molecular weight of 404.32 g/mol. Its IUPAC name is 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine
PubChem CID53317423
Molecular FormulaC21H20Cl2FN3
Molecular Weight404.32 g/mol
Exact Mass403.10
IUPAC Name1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine
SMILESFC1CCN(Cc2cccc(-c3ncc(-c4cccc(Cl)c4Cl)[nH]3)c2)CC1
InChIInChI=1S/C21H20Cl2FN3/c22-18-6-2-5-17(20(18)23)19-12-25-21(26-19)15-4-1-3-14(11-15)13-27-9-7-16(24)8-10-27/h1-6,11-12,16H,7-10,13H2,(H,25,26)
InChIKeyKFTAKMIHRUBOSY-UHFFFAOYSA-N
XLogP5.98
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.32
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine?
The IUPAC name of 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine (CID 53317423) is 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine.
What is the SMILES notation for 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine?
The canonical SMILES for 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine is FC1CCN(Cc2cccc(-c3ncc(-c4cccc(Cl)c4Cl)[nH]3)c2)CC1.
What is the InChIKey of 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine?
The InChIKey is KFTAKMIHRUBOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2FN3/c22-18-6-2-5-17(20(18)23)19-12-25-21(26-19)15-4-1-3-14(11-15)13-27-9-7-16(24)8-10-27/h1-6,11-12,16H,7-10,13H2,(H,25,26).
What are the key properties of 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine?
1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine has a molecular weight of 404.32 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-4-fluoropiperidine is sourced from PubChem (CID 53317423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).