N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline

C18H21ClN4 — CID 143187192

IUPACN-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline
SMILES[H]/N=C(/c1ccccc1Nc1ccc(Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C18H21ClN4/c1-22-10-12-23(13-11-22)18(20)16-4-2-3-5-17(16)21-15-8-6-14(19)7-9-15/h2-9,20-21H,10-13H2,1H3/b20-18-
InChIKeyAKHURUAKBAJTLE-ZZEZOPTASA-N
MW328.85 g/mol
LogP3.66
Rot. Bonds3

About N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline

N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline (PubChem CID 143187192) has the molecular formula C18H21ClN4 and a molecular weight of 328.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline
PubChem CID143187192
Molecular FormulaC18H21ClN4
Molecular Weight328.85 g/mol
Exact Mass328.15
IUPAC NameN-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline
SMILES[H]/N=C(/c1ccccc1Nc1ccc(Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C18H21ClN4/c1-22-10-12-23(13-11-22)18(20)16-4-2-3-5-17(16)21-15-8-6-14(19)7-9-15/h2-9,20-21H,10-13H2,1H3/b20-18-
InChIKeyAKHURUAKBAJTLE-ZZEZOPTASA-N
XLogP3.66
TPSA42.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 53.66
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

[2-(2-amino-4-chloroanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 12834765
N-(4-chlorophenyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728023
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
CID 158752866
(4-methylpiperazin-1-yl)-(6-methyl-2-pyridinyl)methanimine
CID 63555290
4-(azetidine-1-carboximidoyl)-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-fluorobenzamide;N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide
CID 160964311
1-[4-[2-(piperazine-1-carboximidoyl)anilino]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 89330395
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
(4-methylphenyl)-(4-methylpiperazin-1-yl)methanimine
CID 63179139
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
CID 157192088
methanol;4-(methylamino)-3-(4-methylpiperazine-1-carboximidoyl)benzaldehyde
CID 143675847

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline?
The IUPAC name of N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline (CID 143187192) is N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline is [H]/N=C(/c1ccccc1Nc1ccc(Cl)cc1)N1CCN(C)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline?
The InChIKey is AKHURUAKBAJTLE-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H21ClN4/c1-22-10-12-23(13-11-22)18(20)16-4-2-3-5-17(16)21-15-8-6-14(19)7-9-15/h2-9,20-21H,10-13H2,1H3/b20-18-.
What are the key properties of N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline?
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline has a molecular weight of 328.85 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carboximidoyl)aniline is sourced from PubChem (CID 143187192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).