2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine

C28H32N6 — CID 118519071

IUPAC2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine
SMILESCCc1ccccc1C1NNC=C(c2cccc(C3=CN(N)C(c4ccccc4CC)N3)c2)N1
InChIInChI=1S/C28H32N6/c1-3-19-10-5-7-14-23(19)27-31-25(17-30-33-27)21-12-9-13-22(16-21)26-18-34(29)28(32-26)24-15-8-6-11-20(24)4-2/h5-18,27-28,30-33H,3-4,29H2,1-2H3
InChIKeyHUSQTUPHSADGOJ-UHFFFAOYSA-N
MW452.61 g/mol
LogP4.28
Rot. Bonds6

About 2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine

2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine (PubChem CID 118519071) has the molecular formula C28H32N6 and a molecular weight of 452.61 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine.

Molecular Properties

Compound Name2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine
PubChem CID118519071
Molecular FormulaC28H32N6
Molecular Weight452.61 g/mol
Exact Mass452.27
IUPAC Name2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine
SMILESCCc1ccccc1C1NNC=C(c2cccc(C3=CN(N)C(c4ccccc4CC)N3)c2)N1
InChIInChI=1S/C28H32N6/c1-3-19-10-5-7-14-23(19)27-31-25(17-30-33-27)21-12-9-13-22(16-21)26-18-34(29)28(32-26)24-15-8-6-11-20(24)4-2/h5-18,27-28,30-33H,3-4,29H2,1-2H3
InChIKeyHUSQTUPHSADGOJ-UHFFFAOYSA-N
XLogP4.28
TPSA77.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 54.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine?
The IUPAC name of 2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine (CID 118519071) is 2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine.
What is the SMILES notation for 2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine?
The canonical SMILES for 2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine is CCc1ccccc1C1NNC=C(c2cccc(C3=CN(N)C(c4ccccc4CC)N3)c2)N1.
What is the InChIKey of 2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine?
The InChIKey is HUSQTUPHSADGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6/c1-3-19-10-5-7-14-23(19)27-31-25(17-30-33-27)21-12-9-13-22(16-21)26-18-34(29)28(32-26)24-15-8-6-11-20(24)4-2/h5-18,27-28,30-33H,3-4,29H2,1-2H3.
What are the key properties of 2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine?
2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine has a molecular weight of 452.61 g/mol, XLogP of 4.28, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-5-[3-[3-(2-ethylphenyl)-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]phenyl]-1,2-dihydroimidazol-3-amine is sourced from PubChem (CID 118519071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).