1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine

C21H23ClN4 — CID 24805843

IUPAC1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine
SMILESClc1cccc(C(c2ccc(CN3CCNCC3)cc2)n2ccnc2)c1
InChIInChI=1S/C21H23ClN4/c22-20-3-1-2-19(14-20)21(26-13-10-24-16-26)18-6-4-17(5-7-18)15-25-11-8-23-9-12-25/h1-7,10,13-14,16,21,23H,8-9,11-12,15H2
InChIKeyGBDXIBWIVZCVKE-UHFFFAOYSA-N
MW366.90 g/mol
LogP3.58
Rot. Bonds5

About 1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine

1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine (PubChem CID 24805843) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine
PubChem CID24805843
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine
SMILESClc1cccc(C(c2ccc(CN3CCNCC3)cc2)n2ccnc2)c1
InChIInChI=1S/C21H23ClN4/c22-20-3-1-2-19(14-20)21(26-13-10-24-16-26)18-6-4-17(5-7-18)15-25-11-8-23-9-12-25/h1-7,10,13-14,16,21,23H,8-9,11-12,15H2
InChIKeyGBDXIBWIVZCVKE-UHFFFAOYSA-N
XLogP3.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine (CID 24805843) is 1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine is Clc1cccc(C(c2ccc(CN3CCNCC3)cc2)n2ccnc2)c1.
What is the InChIKey of 1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine?
The InChIKey is GBDXIBWIVZCVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c22-20-3-1-2-19(14-20)21(26-13-10-24-16-26)18-6-4-17(5-7-18)15-25-11-8-23-9-12-25/h1-7,10,13-14,16,21,23H,8-9,11-12,15H2.
What are the key properties of 1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine?
1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine has a molecular weight of 366.90 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3-chlorophenyl)-imidazol-1-ylmethyl]phenyl]methyl]piperazine is sourced from PubChem (CID 24805843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).