N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine

C21H17N5 — CID 58065690

IUPACN-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine
SMILESCc1cn(-c2ncc(N=C(c3ccccc3)c3ccccc3)cn2)cn1
InChIInChI=1S/C21H17N5/c1-16-14-26(15-24-16)21-22-12-19(13-23-21)25-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyICDXZBCLHYIFKW-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.14
Rot. Bonds4

About N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine

N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine (PubChem CID 58065690) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine
PubChem CID58065690
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC NameN-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine
SMILESCc1cn(-c2ncc(N=C(c3ccccc3)c3ccccc3)cn2)cn1
InChIInChI=1S/C21H17N5/c1-16-14-26(15-24-16)21-22-12-19(13-23-21)25-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyICDXZBCLHYIFKW-UHFFFAOYSA-N
XLogP4.14
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine 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-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine (CID 58065690) is N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine is Cc1cn(-c2ncc(N=C(c3ccccc3)c3ccccc3)cn2)cn1.
What is the InChIKey of N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine?
The InChIKey is ICDXZBCLHYIFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-16-14-26(15-24-16)21-22-12-19(13-23-21)25-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine?
N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine has a molecular weight of 339.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 58065690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).