4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide

C24H25ClN4 — CID 59186614

IUPAC4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H25ClN4/c25-21-9-5-18(6-10-21)23-4-2-1-3-20(23)17-28-13-15-29(16-14-28)22-11-7-19(8-12-22)24(26)27/h1-12H,13-17H2,(H3,26,27)
InChIKeyAMLQKSAWNVNXNU-UHFFFAOYSA-N
MW404.95 g/mol
LogP4.61
Rot. Bonds5

About 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide (PubChem CID 59186614) has the molecular formula C24H25ClN4 and a molecular weight of 404.95 g/mol. Its IUPAC name is 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide
PubChem CID59186614
Molecular FormulaC24H25ClN4
Molecular Weight404.95 g/mol
Exact Mass404.18
IUPAC Name4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H25ClN4/c25-21-9-5-18(6-10-21)23-4-2-1-3-20(23)17-28-13-15-29(16-14-28)22-11-7-19(8-12-22)24(26)27/h1-12H,13-17H2,(H3,26,27)
InChIKeyAMLQKSAWNVNXNU-UHFFFAOYSA-N
XLogP4.61
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.95
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71602582
1-[[2-(4-chlorophenyl)phenyl]methyl]-4-(4-methylphenyl)piperazine
CID 130244404
benzene;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-sulfonylbenzamide
CID 174652747
N-(1-adamantylsulfonyl)-4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 70695487
4-[4-[[2-(4-iodophenyl)phenyl]methyl]piperazin-1-yl]benzoic acid
CID 70305615
2-[(4-phenylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 24705262
4-[4-[[5-amino-2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzoic acid
CID 170329771
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
CID 58646271
CID 58646271
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223259
N-(4-amino-3-ethylsulfonylphenyl)sulfonyl-4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 131976456
N-[4-amino-2-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 131976296

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide?
The IUPAC name of 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide (CID 59186614) is 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide?
The canonical SMILES for 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide?
The InChIKey is AMLQKSAWNVNXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4/c25-21-9-5-18(6-10-21)23-4-2-1-3-20(23)17-28-13-15-29(16-14-28)22-11-7-19(8-12-22)24(26)27/h1-12H,13-17H2,(H3,26,27).
What are the key properties of 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide?
4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide has a molecular weight of 404.95 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 59186614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).