N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine

C18H20N6 — CID 164627704

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine
SMILESC(=N/CCc1cnc[nH]1)\c1ccc(/C=N/CCc2cnc[nH]2)cc1
InChIInChI=1S/C18H20N6/c1-2-16(10-20-8-6-18-12-22-14-24-18)4-3-15(1)9-19-7-5-17-11-21-13-23-17/h1-4,9-14H,5-8H2,(H,21,23)(H,22,24)/b19-9+,20-10+
InChIKeySHPHFZCRRGQZIM-LQGKIZFRSA-N
MW320.40 g/mol
LogP2.46
Rot. Bonds8

About N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine

N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine (PubChem CID 164627704) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine
PubChem CID164627704
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine
SMILESC(=N/CCc1cnc[nH]1)\c1ccc(/C=N/CCc2cnc[nH]2)cc1
InChIInChI=1S/C18H20N6/c1-2-16(10-20-8-6-18-12-22-14-24-18)4-3-15(1)9-19-7-5-17-11-21-13-23-17/h1-4,9-14H,5-8H2,(H,21,23)(H,22,24)/b19-9+,20-10+
InChIKeySHPHFZCRRGQZIM-LQGKIZFRSA-N
XLogP2.46
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine (CID 164627704) is N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine is C(=N/CCc1cnc[nH]1)\c1ccc(/C=N/CCc2cnc[nH]2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine?
The InChIKey is SHPHFZCRRGQZIM-LQGKIZFRSA-N. The full InChI is InChI=1S/C18H20N6/c1-2-16(10-20-8-6-18-12-22-14-24-18)4-3-15(1)9-19-7-5-17-11-21-13-23-17/h1-4,9-14H,5-8H2,(H,21,23)(H,22,24)/b19-9+,20-10+.
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine?
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine has a molecular weight of 320.40 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-[2-(1H-imidazol-5-yl)ethyliminomethyl]phenyl]methanimine is sourced from PubChem (CID 164627704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).