(Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide

C22H26N4 — CID 177002936

IUPAC(Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide
SMILES[H]/N=C(N)/C(=C\C(=N\[H])c1ccccc1C)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C22H26N4/c1-15-4-2-3-5-19(15)21(23)14-20(22(24)25)18-8-6-16(7-9-18)17-10-12-26-13-11-17/h2-9,14,17,23,26H,10-13H2,1H3,(H3,24,25)/b20-14-,23-21-
InChIKeyTZZXYOCGWAYHQT-YWMIBRPGSA-N
MW346.48 g/mol
LogP3.85
Rot. Bonds5

About (Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide

(Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide (PubChem CID 177002936) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is (Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide
PubChem CID177002936
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name(Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide
SMILES[H]/N=C(N)/C(=C\C(=N\[H])c1ccccc1C)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C22H26N4/c1-15-4-2-3-5-19(15)21(23)14-20(22(24)25)18-8-6-16(7-9-18)17-10-12-26-13-11-17/h2-9,14,17,23,26H,10-13H2,1H3,(H3,24,25)/b20-14-,23-21-
InChIKeyTZZXYOCGWAYHQT-YWMIBRPGSA-N
XLogP3.85
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.85
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide?
The IUPAC name of (Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide (CID 177002936) is (Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide.
What is the SMILES notation for (Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide?
The canonical SMILES for (Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide is [H]/N=C(N)/C(=C\C(=N\[H])c1ccccc1C)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of (Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide?
The InChIKey is TZZXYOCGWAYHQT-YWMIBRPGSA-N. The full InChI is InChI=1S/C22H26N4/c1-15-4-2-3-5-19(15)21(23)14-20(22(24)25)18-8-6-16(7-9-18)17-10-12-26-13-11-17/h2-9,14,17,23,26H,10-13H2,1H3,(H3,24,25)/b20-14-,23-21-.
What are the key properties of (Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide?
(Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide has a molecular weight of 346.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-4-(2-methylphenyl)-2-(4-piperidin-4-ylphenyl)but-2-enimidamide is sourced from PubChem (CID 177002936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).