4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one

C20H20N4O — CID 70752762

IUPAC4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one
SMILESO=C1CN(Cc2cnc[nH]2)CCN1c1ccccc1-c1ccccc1
InChIInChI=1S/C20H20N4O/c25-20-14-23(13-17-12-21-15-22-17)10-11-24(20)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,12,15H,10-11,13-14H2,(H,21,22)
InChIKeyVGAAMCMHPFUUGE-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.93
Rot. Bonds4

About 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one

4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one (PubChem CID 70752762) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one
PubChem CID70752762
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one
SMILESO=C1CN(Cc2cnc[nH]2)CCN1c1ccccc1-c1ccccc1
InChIInChI=1S/C20H20N4O/c25-20-14-23(13-17-12-21-15-22-17)10-11-24(20)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,12,15H,10-11,13-14H2,(H,21,22)
InChIKeyVGAAMCMHPFUUGE-UHFFFAOYSA-N
XLogP2.93
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-imidazol-5-ylmethyl)piperazin-2-one
CID 55254816
1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70762121
7,8-dibromo-5-(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1λ6,2,5-benzothiadiazepine 1,1-dioxide
CID 21360588
6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 155505818
[4-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]-naphthalen-1-ylmethanone
CID 11794292
1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 70720362
4-benzyl-3-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56874620
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
2-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]ethanol
CID 115747077
[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(2-phenylphenyl)methanone
CID 18422491
1-(1H-imidazol-5-ylmethyl)-4-(3-phenylpropyl)-1,4-diazepane
CID 56917910
4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine
CID 141030931

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one (CID 70752762) is 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one is O=C1CN(Cc2cnc[nH]2)CCN1c1ccccc1-c1ccccc1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one?
The InChIKey is VGAAMCMHPFUUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20-14-23(13-17-12-21-15-22-17)10-11-24(20)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,12,15H,10-11,13-14H2,(H,21,22).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one?
4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one has a molecular weight of 332.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 70752762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).