1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine

C20H16N4 — CID 2740930

IUPAC1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine
SMILESC(=N/c1ccccc1-n1cccc1)\c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H16N4/c1-2-8-16(9-3-1)20-22-15-17(23-20)14-21-18-10-4-5-11-19(18)24-12-6-7-13-24/h1-15H,(H,22,23)/b21-14+
InChIKeyOKRGNPVQPPQVCE-KGENOOAVSA-N
MW312.38 g/mol
LogP4.62
Rot. Bonds4

About 1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine

1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine (PubChem CID 2740930) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine
PubChem CID2740930
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine
SMILESC(=N/c1ccccc1-n1cccc1)\c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H16N4/c1-2-8-16(9-3-1)20-22-15-17(23-20)14-21-18-10-4-5-11-19(18)24-12-6-7-13-24/h1-15H,(H,22,23)/b21-14+
InChIKeyOKRGNPVQPPQVCE-KGENOOAVSA-N
XLogP4.62
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine?
The IUPAC name of 1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine (CID 2740930) is 1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine.
What is the SMILES notation for 1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine?
The canonical SMILES for 1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine is C(=N/c1ccccc1-n1cccc1)\c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine?
The InChIKey is OKRGNPVQPPQVCE-KGENOOAVSA-N. The full InChI is InChI=1S/C20H16N4/c1-2-8-16(9-3-1)20-22-15-17(23-20)14-21-18-10-4-5-11-19(18)24-12-6-7-13-24/h1-15H,(H,22,23)/b21-14+.
What are the key properties of 1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine?
1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine has a molecular weight of 312.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1H-imidazol-5-yl)-N-(2-pyrrol-1-ylphenyl)methanimine is sourced from PubChem (CID 2740930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).