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

C21H21Cl2N3 — CID 53319972

IUPAC1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine
SMILESClc1cccc(-c2cnc(-c3cccc(CN4CCCCC4)c3)[nH]2)c1Cl
InChIInChI=1S/C21H21Cl2N3/c22-18-9-5-8-17(20(18)23)19-13-24-21(25-19)16-7-4-6-15(12-16)14-26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14H2,(H,24,25)
InChIKeyRCHAUSSKCBRXFN-UHFFFAOYSA-N
MW386.33 g/mol
LogP6.04
Rot. Bonds4

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

1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine (PubChem CID 53319972) has the molecular formula C21H21Cl2N3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine
PubChem CID53319972
Molecular FormulaC21H21Cl2N3
Molecular Weight386.33 g/mol
Exact Mass385.11
IUPAC Name1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine
SMILESClc1cccc(-c2cnc(-c3cccc(CN4CCCCC4)c3)[nH]2)c1Cl
InChIInChI=1S/C21H21Cl2N3/c22-18-9-5-8-17(20(18)23)19-13-24-21(25-19)16-7-4-6-15(12-16)14-26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14H2,(H,24,25)
InChIKeyRCHAUSSKCBRXFN-UHFFFAOYSA-N
XLogP6.04
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 56.04
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]piperidine?
The IUPAC name of 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine (CID 53319972) is 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine?
The canonical SMILES for 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine is Clc1cccc(-c2cnc(-c3cccc(CN4CCCCC4)c3)[nH]2)c1Cl.
What is the InChIKey of 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine?
The InChIKey is RCHAUSSKCBRXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3/c22-18-9-5-8-17(20(18)23)19-13-24-21(25-19)16-7-4-6-15(12-16)14-26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14H2,(H,24,25).
What are the key properties of 1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine?
1-[[3-[5-(2,3-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methyl]piperidine has a molecular weight of 386.33 g/mol, XLogP of 6.04, 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]piperidine is sourced from PubChem (CID 53319972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).