4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one

C29H32N4O2 — CID 46338950

IUPAC4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one
SMILESCCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C29H32N4O2/c1-3-22-12-9-13-24(20-22)33-28(34)25(21-23-10-5-4-6-11-23)30-29(33)32-18-16-31(17-19-32)26-14-7-8-15-27(26)35-2/h4-15,20,25H,3,16-19,21H2,1-2H3
InChIKeyIVLFLXSIHSYIGH-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.39
Rot. Bonds6

About 4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one

4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one (PubChem CID 46338950) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one.

Molecular Properties

Compound Name4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one
PubChem CID46338950
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one
SMILESCCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C29H32N4O2/c1-3-22-12-9-13-24(20-22)33-28(34)25(21-23-10-5-4-6-11-23)30-29(33)32-18-16-31(17-19-32)26-14-7-8-15-27(26)35-2/h4-15,20,25H,3,16-19,21H2,1-2H3
InChIKeyIVLFLXSIHSYIGH-UHFFFAOYSA-N
XLogP4.39
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate
CID 46338970
4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one
CID 46338917
4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one
CID 46338809
4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one
CID 46338943
(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1213323
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
(3S)-1-(2-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1087567
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561263
(1R,2R,6S,7R)-4-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98141420
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9335620
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344573

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one?
The IUPAC name of 4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one (CID 46338950) is 4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one.
What is the SMILES notation for 4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one?
The canonical SMILES for 4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one is CCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one?
The InChIKey is IVLFLXSIHSYIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-3-22-12-9-13-24(20-22)33-28(34)25(21-23-10-5-4-6-11-23)30-29(33)32-18-16-31(17-19-32)26-14-7-8-15-27(26)35-2/h4-15,20,25H,3,16-19,21H2,1-2H3.
What are the key properties of 4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one?
4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one has a molecular weight of 468.60 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one is sourced from PubChem (CID 46338950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).