3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one

C22H26N4O3 — CID 54561697

IUPAC3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one
SMILESCCn1c(O)cn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O
InChIInChI=1S/C22H26N4O3/c1-3-25-21(27)16-26(22(25)28)19-6-4-17(5-7-19)23-12-14-24(15-13-23)18-8-10-20(29-2)11-9-18/h4-11,16,27H,3,12-15H2,1-2H3
InChIKeyZQZQDRZUMHQRQV-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.70
Rot. Bonds5

About 3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one

3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one (PubChem CID 54561697) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one
PubChem CID54561697
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one
SMILESCCn1c(O)cn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O
InChIInChI=1S/C22H26N4O3/c1-3-25-21(27)16-26(22(25)28)19-6-4-17(5-7-19)23-12-14-24(15-13-23)18-8-10-20(29-2)11-9-18/h4-11,16,27H,3,12-15H2,1-2H3
InChIKeyZQZQDRZUMHQRQV-UHFFFAOYSA-N
XLogP2.70
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-sulfanylpiperazine;propane
CID 142914389
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 55471576
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-propylbenzimidazol-2-one
CID 18089247
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide
CID 46381379
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
1-(4-methoxyphenyl)piperidine
CID 10130315
3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane
CID 15908643
3-(4-ethylpiperazin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109017688

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one (CID 54561697) is 3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one is CCn1c(O)cn(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)c1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one?
The InChIKey is ZQZQDRZUMHQRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-25-21(27)16-26(22(25)28)19-6-4-17(5-7-19)23-12-14-24(15-13-23)18-8-10-20(29-2)11-9-18/h4-11,16,27H,3,12-15H2,1-2H3.
What are the key properties of 3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one?
3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one has a molecular weight of 394.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]imidazol-2-one is sourced from PubChem (CID 54561697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).