N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine

C33H33N3 — CID 58884537

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C
InChIInChI=1S/C33H33N3/c1-22(2)26-17-12-18-27(23(3)4)31(26)34-21-30-35-32-28(24-13-8-6-9-14-24)19-20-29(33(32)36(30)5)25-15-10-7-11-16-25/h6-23H,1-5H3/b34-21+
InChIKeyFAKIYEFTNVIUED-KEIPNQJHSA-N
MW471.65 g/mol
LogP8.90
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine

N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine (PubChem CID 58884537) has the molecular formula C33H33N3 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine
PubChem CID58884537
Molecular FormulaC33H33N3
Molecular Weight471.65 g/mol
Exact Mass471.27
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C
InChIInChI=1S/C33H33N3/c1-22(2)26-17-12-18-27(23(3)4)31(26)34-21-30-35-32-28(24-13-8-6-9-14-24)19-20-29(33(32)36(30)5)25-15-10-7-11-16-25/h6-23H,1-5H3/b34-21+
InChIKeyFAKIYEFTNVIUED-KEIPNQJHSA-N
XLogP8.90
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine (CID 58884537) is N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine?
The InChIKey is FAKIYEFTNVIUED-KEIPNQJHSA-N. The full InChI is InChI=1S/C33H33N3/c1-22(2)26-17-12-18-27(23(3)4)31(26)34-21-30-35-32-28(24-13-8-6-9-14-24)19-20-29(33(32)36(30)5)25-15-10-7-11-16-25/h6-23H,1-5H3/b34-21+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine has a molecular weight of 471.65 g/mol, XLogP of 8.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine is sourced from PubChem (CID 58884537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).