N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine

C25H25N3 — CID 58884466

IUPACN-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine
SMILESCn1c(/C=N/C(C)(C)C)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21
InChIInChI=1S/C25H25N3/c1-25(2,3)26-17-22-27-23-20(18-11-7-5-8-12-18)15-16-21(24(23)28(22)4)19-13-9-6-10-14-19/h5-17H,1-4H3/b26-17+
InChIKeyBEAWQPUCNOYZEW-YZSQISJMSA-N
MW367.50 g/mol
LogP6.12
Rot. Bonds3

About N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine

N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine (PubChem CID 58884466) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine
PubChem CID58884466
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC NameN-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine
SMILESCn1c(/C=N/C(C)(C)C)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21
InChIInChI=1S/C25H25N3/c1-25(2,3)26-17-22-27-23-20(18-11-7-5-8-12-18)15-16-21(24(23)28(22)4)19-13-9-6-10-14-19/h5-17H,1-4H3/b26-17+
InChIKeyBEAWQPUCNOYZEW-YZSQISJMSA-N
XLogP6.12
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 56.12
H-Bond Donors ≤ 50
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 N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine?
The IUPAC name of N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine (CID 58884466) is N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine?
The canonical SMILES for N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine is Cn1c(/C=N/C(C)(C)C)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21.
What is the InChIKey of N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine?
The InChIKey is BEAWQPUCNOYZEW-YZSQISJMSA-N. The full InChI is InChI=1S/C25H25N3/c1-25(2,3)26-17-22-27-23-20(18-11-7-5-8-12-18)15-16-21(24(23)28(22)4)19-13-9-6-10-14-19/h5-17H,1-4H3/b26-17+.
What are the key properties of N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine?
N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine has a molecular weight of 367.50 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)methanimine is sourced from PubChem (CID 58884466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).