4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one

C28H31N3O — CID 46338773

IUPAC4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one
SMILESCCCCN(Cc1ccccc1)C1=NC(Cc2ccccc2)C(=O)N1c1ccccc1C
InChIInChI=1S/C28H31N3O/c1-3-4-19-30(21-24-16-9-6-10-17-24)28-29-25(20-23-14-7-5-8-15-23)27(32)31(28)26-18-12-11-13-22(26)2/h5-18,25H,3-4,19-21H2,1-2H3
InChIKeyZORLEGXLAGUTTB-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.61
Rot. Bonds8

About 4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one

4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one (PubChem CID 46338773) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one
PubChem CID46338773
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one
SMILESCCCCN(Cc1ccccc1)C1=NC(Cc2ccccc2)C(=O)N1c1ccccc1C
InChIInChI=1S/C28H31N3O/c1-3-4-19-30(21-24-16-9-6-10-17-24)28-29-25(20-23-14-7-5-8-15-23)27(32)31(28)26-18-12-11-13-22(26)2/h5-18,25H,3-4,19-21H2,1-2H3
InChIKeyZORLEGXLAGUTTB-UHFFFAOYSA-N
XLogP5.61
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one?
The IUPAC name of 4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one (CID 46338773) is 4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one.
What is the SMILES notation for 4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one?
The canonical SMILES for 4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one is CCCCN(Cc1ccccc1)C1=NC(Cc2ccccc2)C(=O)N1c1ccccc1C.
What is the InChIKey of 4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one?
The InChIKey is ZORLEGXLAGUTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-3-4-19-30(21-24-16-9-6-10-17-24)28-29-25(20-23-14-7-5-8-15-23)27(32)31(28)26-18-12-11-13-22(26)2/h5-18,25H,3-4,19-21H2,1-2H3.
What are the key properties of 4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one?
4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one has a molecular weight of 425.58 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[benzyl(butyl)amino]-1-(2-methylphenyl)-4H-imidazol-5-one is sourced from PubChem (CID 46338773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).