(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine

C23H23N5 — CID 172930887

IUPAC(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
SMILESC/C(=N/N=C\c1ccccc1)c1ccc(/C(C)=N/N=C\c2ccccc2)n1C
InChIInChI=1S/C23H23N5/c1-18(26-24-16-20-10-6-4-7-11-20)22-14-15-23(28(22)3)19(2)27-25-17-21-12-8-5-9-13-21/h4-17H,1-3H3/b24-16-,25-17-,26-18-,27-19+
InChIKeyRSVJCLCIEPDJRC-KFKFKSIZSA-N
MW369.47 g/mol
LogP4.71
Rot. Bonds6

About (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine

(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine (PubChem CID 172930887) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
PubChem CID172930887
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine
SMILESC/C(=N/N=C\c1ccccc1)c1ccc(/C(C)=N/N=C\c2ccccc2)n1C
InChIInChI=1S/C23H23N5/c1-18(26-24-16-20-10-6-4-7-11-20)22-14-15-23(28(22)3)19(2)27-25-17-21-12-8-5-9-13-21/h4-17H,1-3H3/b24-16-,25-17-,26-18-,27-19+
InChIKeyRSVJCLCIEPDJRC-KFKFKSIZSA-N
XLogP4.71
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine?
The IUPAC name of (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine (CID 172930887) is (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine.
What is the SMILES notation for (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine?
The canonical SMILES for (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine is C/C(=N/N=C\c1ccccc1)c1ccc(/C(C)=N/N=C\c2ccccc2)n1C.
What is the InChIKey of (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine?
The InChIKey is RSVJCLCIEPDJRC-KFKFKSIZSA-N. The full InChI is InChI=1S/C23H23N5/c1-18(26-24-16-20-10-6-4-7-11-20)22-14-15-23(28(22)3)19(2)27-25-17-21-12-8-5-9-13-21/h4-17H,1-3H3/b24-16-,25-17-,26-18-,27-19+.
What are the key properties of (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine?
(Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine has a molecular weight of 369.47 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-benzylideneamino]-1-[5-[(E)-N-[(Z)-benzylideneamino]-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethanimine is sourced from PubChem (CID 172930887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).