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

C28H31N3O — CID 46338943

IUPAC4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one
SMILESCCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C28H31N3O/c1-4-22-16-11-17-25(18-22)31-27(32)26(19-23-12-7-5-8-13-23)29-28(31)30(21(2)3)20-24-14-9-6-10-15-24/h5-18,21,26H,4,19-20H2,1-3H3
InChIKeyMNKXWDHAOMPXMY-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.47
Rot. Bonds7

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

4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one (PubChem CID 46338943) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one
PubChem CID46338943
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one
SMILESCCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C28H31N3O/c1-4-22-16-11-17-25(18-22)31-27(32)26(19-23-12-7-5-8-13-23)29-28(31)30(21(2)3)20-24-14-9-6-10-15-24/h5-18,21,26H,4,19-20H2,1-3H3
InChIKeyMNKXWDHAOMPXMY-UHFFFAOYSA-N
XLogP5.47
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3,5-dimethylphenyl)-4H-imidazol-5-one
CID 46339013
4-benzyl-2-[2-(dimethylamino)ethyl-(furan-2-ylmethyl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one
CID 46338960
4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one
CID 46338906
4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one
CID 46338950
4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one
CID 46338773
7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598589
4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one
CID 46338917
5-benzyl-N,N-dimethyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 171365061
4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one
CID 46338907
3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4961995
3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione
CID 64959213
4-benzyl-1-(4-chloro-2-methylphenyl)-2-[cyclohexyl(methyl)amino]-4H-imidazol-5-one
CID 46338728

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one?
The IUPAC name of 4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one (CID 46338943) is 4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one.
What is the SMILES notation for 4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one?
The canonical SMILES for 4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one is CCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of 4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one?
The InChIKey is MNKXWDHAOMPXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-4-22-16-11-17-25(18-22)31-27(32)26(19-23-12-7-5-8-13-23)29-28(31)30(21(2)3)20-24-14-9-6-10-15-24/h5-18,21,26H,4,19-20H2,1-3H3.
What are the key properties of 4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one?
4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one has a molecular weight of 425.58 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[benzyl(propan-2-yl)amino]-1-(3-ethylphenyl)-4H-imidazol-5-one is sourced from PubChem (CID 46338943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).