N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine

C12H13N3 — CID 145470770

IUPACN-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine
SMILESC=Nc1c(C)nc(-c2ccccc2)n1C
InChIInChI=1S/C12H13N3/c1-9-11(13-2)15(3)12(14-9)10-7-5-4-6-8-10/h4-8H,2H2,1,3H3
InChIKeyKJJNDMBVOLNCEG-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.73
Rot. Bonds2

About N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine

N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine (PubChem CID 145470770) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine.

Molecular Properties

Compound NameN-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine
PubChem CID145470770
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine
SMILESC=Nc1c(C)nc(-c2ccccc2)n1C
InChIInChI=1S/C12H13N3/c1-9-11(13-2)15(3)12(14-9)10-7-5-4-6-8-10/h4-8H,2H2,1,3H3
InChIKeyKJJNDMBVOLNCEG-UHFFFAOYSA-N
XLogP2.73
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.73
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-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine?
The IUPAC name of N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine (CID 145470770) is N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine.
What is the SMILES notation for N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine?
The canonical SMILES for N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine is C=Nc1c(C)nc(-c2ccccc2)n1C.
What is the InChIKey of N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine?
The InChIKey is KJJNDMBVOLNCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-11(13-2)15(3)12(14-9)10-7-5-4-6-8-10/h4-8H,2H2,1,3H3.
What are the key properties of N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine?
N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine has a molecular weight of 199.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-2-phenylimidazol-4-yl)methanimine is sourced from PubChem (CID 145470770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).