4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one

C21H23N3O2 — CID 46338917

IUPAC4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one
SMILESCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCOCC2)c1
InChIInChI=1S/C21H23N3O2/c1-16-6-5-9-18(14-16)24-20(25)19(15-17-7-3-2-4-8-17)22-21(24)23-10-12-26-13-11-23/h2-9,14,19H,10-13,15H2,1H3
InChIKeyTZAUULJBIWAAMU-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.64
Rot. Bonds3

About 4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one

4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one (PubChem CID 46338917) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one.

Molecular Properties

Compound Name4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one
PubChem CID46338917
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one
SMILESCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCOCC2)c1
InChIInChI=1S/C21H23N3O2/c1-16-6-5-9-18(14-16)24-20(25)19(15-17-7-3-2-4-8-17)22-21(24)23-10-12-26-13-11-23/h2-9,14,19H,10-13,15H2,1H3
InChIKeyTZAUULJBIWAAMU-UHFFFAOYSA-N
XLogP2.64
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one
CID 46338907
4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one
CID 46338809
(5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 95795943
4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one
CID 46338820
4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one
CID 11345966
4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one
CID 46338906
N,N-dimethylmethanamine;ethane;formaldehyde;4-(3-methylphenyl)morpholine;propylbenzene
CID 144909630
5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4130906
N-benzyl-N-cyclopropyl-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55845558
(4Z)-2-(3-methylphenyl)-4-[(5-morpholin-4-ylthiophen-2-yl)methylidene]isoquinoline-1,3-dione
CID 2432201
(2R)-11-[(3-methylphenyl)methyl]-4-(3-morpholin-4-ylphenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione
CID 145259086
(3R)-3-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1115575

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one?
The IUPAC name of 4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one (CID 46338917) is 4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one.
What is the SMILES notation for 4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one?
The canonical SMILES for 4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one is Cc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCOCC2)c1.
What is the InChIKey of 4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one?
The InChIKey is TZAUULJBIWAAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-6-5-9-18(14-16)24-20(25)19(15-17-7-3-2-4-8-17)22-21(24)23-10-12-26-13-11-23/h2-9,14,19H,10-13,15H2,1H3.
What are the key properties of 4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one?
4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one has a molecular weight of 349.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one is sourced from PubChem (CID 46338917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).