2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one

C22H24N4O — CID 165414878

IUPAC2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one
SMILESCn1cc(-c2ccccc2)nc1CCC1NC(=O)CC(c2ccccc2)N1
InChIInChI=1S/C22H24N4O/c1-26-15-19(17-10-6-3-7-11-17)24-21(26)13-12-20-23-18(14-22(27)25-20)16-8-4-2-5-9-16/h2-11,15,18,20,23H,12-14H2,1H3,(H,25,27)
InChIKeyXSHOHIIAILXTHR-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one

2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one (PubChem CID 165414878) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one
PubChem CID165414878
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one
SMILESCn1cc(-c2ccccc2)nc1CCC1NC(=O)CC(c2ccccc2)N1
InChIInChI=1S/C22H24N4O/c1-26-15-19(17-10-6-3-7-11-17)24-21(26)13-12-20-23-18(14-22(27)25-20)16-8-4-2-5-9-16/h2-11,15,18,20,23H,12-14H2,1H3,(H,25,27)
InChIKeyXSHOHIIAILXTHR-UHFFFAOYSA-N
XLogP3.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one?
The IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one (CID 165414878) is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one is Cn1cc(-c2ccccc2)nc1CCC1NC(=O)CC(c2ccccc2)N1.
What is the InChIKey of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one?
The InChIKey is XSHOHIIAILXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-26-15-19(17-10-6-3-7-11-17)24-21(26)13-12-20-23-18(14-22(27)25-20)16-8-4-2-5-9-16/h2-11,15,18,20,23H,12-14H2,1H3,(H,25,27).
What are the key properties of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one?
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one has a molecular weight of 360.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-6-phenyl-1,3-diazinan-4-one is sourced from PubChem (CID 165414878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).