2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine

C22H21N7 — CID 1266904

IUPAC2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(N3CCN(c4ccccc4)CC3)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C22H21N7/c1-3-7-18(8-4-1)20-24-21(26-22(25-20)29-12-11-23-17-29)28-15-13-27(14-16-28)19-9-5-2-6-10-19/h1-12,17H,13-16H2
InChIKeyKOGKLWVBRDGPOX-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.05
Rot. Bonds4

About 2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine

2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine (PubChem CID 1266904) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
PubChem CID1266904
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(N3CCN(c4ccccc4)CC3)nc(-n3ccnc3)n2)cc1
InChIInChI=1S/C22H21N7/c1-3-7-18(8-4-1)20-24-21(26-22(25-20)29-12-11-23-17-29)28-15-13-27(14-16-28)19-9-5-2-6-10-19/h1-12,17H,13-16H2
InChIKeyKOGKLWVBRDGPOX-UHFFFAOYSA-N
XLogP3.05
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine (CID 1266904) is 2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine is c1ccc(-c2nc(N3CCN(c4ccccc4)CC3)nc(-n3ccnc3)n2)cc1.
What is the InChIKey of 2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine?
The InChIKey is KOGKLWVBRDGPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-3-7-18(8-4-1)20-24-21(26-22(25-20)29-12-11-23-17-29)28-15-13-27(14-16-28)19-9-5-2-6-10-19/h1-12,17H,13-16H2.
What are the key properties of 2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine?
2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine has a molecular weight of 383.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-phenyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 1266904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).