3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one

C21H22N4O2 — CID 143725239

IUPAC3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one
SMILESCc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C21H22N4O2/c1-15-7-5-6-10-17(15)25-19(16-8-3-2-4-9-16)18(23-21(25)27)20(26)24-13-11-22-12-14-24/h2-10,22H,11-14H2,1H3,(H,23,27)
InChIKeyYTOFSJXPUHZGLJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.19
Rot. Bonds3

About 3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one

3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one (PubChem CID 143725239) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one
PubChem CID143725239
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one
SMILESCc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C21H22N4O2/c1-15-7-5-6-10-17(15)25-19(16-8-3-2-4-9-16)18(23-21(25)27)20(26)24-13-11-22-12-14-24/h2-10,22H,11-14H2,1H3,(H,23,27)
InChIKeyYTOFSJXPUHZGLJ-UHFFFAOYSA-N
XLogP2.19
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one?
The IUPAC name of 3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one (CID 143725239) is 3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one is Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)[nH]c1=O.
What is the InChIKey of 3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one?
The InChIKey is YTOFSJXPUHZGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-7-5-6-10-17(15)25-19(16-8-3-2-4-9-16)18(23-21(25)27)20(26)24-13-11-22-12-14-24/h2-10,22H,11-14H2,1H3,(H,23,27).
What are the key properties of 3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one?
3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-2-one is sourced from PubChem (CID 143725239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).