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

C21H19N5 — CID 139218624

IUPAC1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine
SMILESC[C@H](/N=C/c1cnc(-c2ccccc2)[nH]1)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H19N5/c1-15(19-14-24-21(26-19)17-10-6-3-7-11-17)22-12-18-13-23-20(25-18)16-8-4-2-5-9-16/h2-15H,1H3,(H,23,25)(H,24,26)/b22-12+/t15-/m0/s1
InChIKeyFEQDNYUVZUESPM-OOXYOOLHSA-N
MW341.42 g/mol
LogP4.65
Rot. Bonds5

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

1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine (PubChem CID 139218624) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine.

Molecular Properties

Compound Name1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine
PubChem CID139218624
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine
SMILESC[C@H](/N=C/c1cnc(-c2ccccc2)[nH]1)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H19N5/c1-15(19-14-24-21(26-19)17-10-6-3-7-11-17)22-12-18-13-23-20(25-18)16-8-4-2-5-9-16/h2-15H,1H3,(H,23,25)(H,24,26)/b22-12+/t15-/m0/s1
InChIKeyFEQDNYUVZUESPM-OOXYOOLHSA-N
XLogP4.65
TPSA69.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
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-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine?
The IUPAC name of 1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine (CID 139218624) is 1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine.
What is the SMILES notation for 1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine?
The canonical SMILES for 1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine is C[C@H](/N=C/c1cnc(-c2ccccc2)[nH]1)c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine?
The InChIKey is FEQDNYUVZUESPM-OOXYOOLHSA-N. The full InChI is InChI=1S/C21H19N5/c1-15(19-14-24-21(26-19)17-10-6-3-7-11-17)22-12-18-13-23-20(25-18)16-8-4-2-5-9-16/h2-15H,1H3,(H,23,25)(H,24,26)/b22-12+/t15-/m0/s1.
What are the key properties of 1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine?
1-(2-phenyl-1H-imidazol-5-yl)-N-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine has a molecular weight of 341.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 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-[(1S)-1-(2-phenyl-1H-imidazol-5-yl)ethyl]methanimine is sourced from PubChem (CID 139218624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).