1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine

C21H25N3 — CID 11012620

IUPAC1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine
SMILES[H]N=c1n(-c2c(C)cc(C)cc2C)ccn1-c1c(C)cc(C)cc1C
InChIInChI=1S/C21H25N3/c1-13-9-15(3)19(16(4)10-13)23-7-8-24(21(23)22)20-17(5)11-14(2)12-18(20)6/h7-12,22H,1-6H3
InChIKeyGPQZVAOQFZERRV-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.60
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine

1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine (PubChem CID 11012620) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine
PubChem CID11012620
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine
SMILES[H]N=c1n(-c2c(C)cc(C)cc2C)ccn1-c1c(C)cc(C)cc1C
InChIInChI=1S/C21H25N3/c1-13-9-15(3)19(16(4)10-13)23-7-8-24(21(23)22)20-17(5)11-14(2)12-18(20)6/h7-12,22H,1-6H3
InChIKeyGPQZVAOQFZERRV-UHFFFAOYSA-N
XLogP4.60
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine (CID 11012620) is 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine is [H]N=c1n(-c2c(C)cc(C)cc2C)ccn1-c1c(C)cc(C)cc1C.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine?
The InChIKey is GPQZVAOQFZERRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-13-9-15(3)19(16(4)10-13)23-7-8-24(21(23)22)20-17(5)11-14(2)12-18(20)6/h7-12,22H,1-6H3.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine?
1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine has a molecular weight of 319.45 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine is sourced from PubChem (CID 11012620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).