1,4,5-tribenzylimidazol-2-amine

C24H23N3 — CID 139230439

IUPAC1,4,5-tribenzylimidazol-2-amine
SMILESNc1nc(Cc2ccccc2)c(Cc2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C24H23N3/c25-24-26-22(16-19-10-4-1-5-11-19)23(17-20-12-6-2-7-13-20)27(24)18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H2,25,26)
InChIKeyQTBCDNPCGAGTRW-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.70
Rot. Bonds6

About 1,4,5-tribenzylimidazol-2-amine

1,4,5-tribenzylimidazol-2-amine (PubChem CID 139230439) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1,4,5-tribenzylimidazol-2-amine.

Molecular Properties

Compound Name1,4,5-tribenzylimidazol-2-amine
PubChem CID139230439
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name1,4,5-tribenzylimidazol-2-amine
SMILESNc1nc(Cc2ccccc2)c(Cc2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C24H23N3/c25-24-26-22(16-19-10-4-1-5-11-19)23(17-20-12-6-2-7-13-20)27(24)18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H2,25,26)
InChIKeyQTBCDNPCGAGTRW-UHFFFAOYSA-N
XLogP4.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-tribenzylimidazol-2-amine?
The IUPAC name of 1,4,5-tribenzylimidazol-2-amine (CID 139230439) is 1,4,5-tribenzylimidazol-2-amine.
What is the SMILES notation for 1,4,5-tribenzylimidazol-2-amine?
The canonical SMILES for 1,4,5-tribenzylimidazol-2-amine is Nc1nc(Cc2ccccc2)c(Cc2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 1,4,5-tribenzylimidazol-2-amine?
The InChIKey is QTBCDNPCGAGTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c25-24-26-22(16-19-10-4-1-5-11-19)23(17-20-12-6-2-7-13-20)27(24)18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H2,25,26).
What are the key properties of 1,4,5-tribenzylimidazol-2-amine?
1,4,5-tribenzylimidazol-2-amine has a molecular weight of 353.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-tribenzylimidazol-2-amine is sourced from PubChem (CID 139230439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).