1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine

C34H33N3 — CID 137214882

IUPAC1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/c1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C34H33N3/c1-23(2)28-21-14-22-29(24(3)4)33(28)35-32(27-19-12-7-13-20-27)34-36-30(25-15-8-5-9-16-25)31(37-34)26-17-10-6-11-18-26/h5-24H,1-4H3,(H,36,37)/b35-32-
InChIKeyGTJVZMYVGPRVFY-JCUPVDEDSA-N
MW483.66 g/mol
LogP9.16
Rot. Bonds7

About 1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine

1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine (PubChem CID 137214882) has the molecular formula C34H33N3 and a molecular weight of 483.66 g/mol. Its IUPAC name is 1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound Name1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
PubChem CID137214882
Molecular FormulaC34H33N3
Molecular Weight483.66 g/mol
Exact Mass483.27
IUPAC Name1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(/c1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C34H33N3/c1-23(2)28-21-14-22-29(24(3)4)33(28)35-32(27-19-12-7-13-20-27)34-36-30(25-15-8-5-9-16-25)31(37-34)26-17-10-6-11-18-26/h5-24H,1-4H3,(H,36,37)/b35-32-
InChIKeyGTJVZMYVGPRVFY-JCUPVDEDSA-N
XLogP9.16
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 59.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The IUPAC name of 1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine (CID 137214882) is 1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for 1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The canonical SMILES for 1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine is CC(C)c1cccc(C(C)C)c1/N=C(/c1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
The InChIKey is GTJVZMYVGPRVFY-JCUPVDEDSA-N. The full InChI is InChI=1S/C34H33N3/c1-23(2)28-21-14-22-29(24(3)4)33(28)35-32(27-19-12-7-13-20-27)34-36-30(25-15-8-5-9-16-25)31(37-34)26-17-10-6-11-18-26/h5-24H,1-4H3,(H,36,37)/b35-32-.
What are the key properties of 1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine?
1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine has a molecular weight of 483.66 g/mol, XLogP of 9.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 137214882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).