1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine

C26H25ClN4 — CID 11069992

IUPAC1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine
SMILESClc1cccc(N2CCN(Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C26H25ClN4/c27-22-10-7-13-25(18-22)30-16-14-29(15-17-30)19-23-20-31(24-11-5-2-6-12-24)26(28-23)21-8-3-1-4-9-21/h1-13,18,20H,14-17,19H2
InChIKeyFISSWGCIUFVFKT-UHFFFAOYSA-N
MW428.97 g/mol
LogP5.51
Rot. Bonds5

About 1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine

1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine (PubChem CID 11069992) has the molecular formula C26H25ClN4 and a molecular weight of 428.97 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine
PubChem CID11069992
Molecular FormulaC26H25ClN4
Molecular Weight428.97 g/mol
Exact Mass428.18
IUPAC Name1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine
SMILESClc1cccc(N2CCN(Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C26H25ClN4/c27-22-10-7-13-25(18-22)30-16-14-29(15-17-30)19-23-20-31(24-11-5-2-6-12-24)26(28-23)21-8-3-1-4-9-21/h1-13,18,20H,14-17,19H2
InChIKeyFISSWGCIUFVFKT-UHFFFAOYSA-N
XLogP5.51
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.97
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine (CID 11069992) is 1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine is Clc1cccc(N2CCN(Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine?
The InChIKey is FISSWGCIUFVFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4/c27-22-10-7-13-25(18-22)30-16-14-29(15-17-30)19-23-20-31(24-11-5-2-6-12-24)26(28-23)21-8-3-1-4-9-21/h1-13,18,20H,14-17,19H2.
What are the key properties of 1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine?
1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine has a molecular weight of 428.97 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(1,2-diphenylimidazol-4-yl)methyl]piperazine is sourced from PubChem (CID 11069992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).