4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one

C23H29N3O — CID 46338906

IUPAC4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one
SMILESCCCCN(CC)C1=NC(Cc2ccccc2)C(=O)N1c1cccc(C)c1
InChIInChI=1S/C23H29N3O/c1-4-6-15-25(5-2)23-24-21(17-19-12-8-7-9-13-19)22(27)26(23)20-14-10-11-18(3)16-20/h7-14,16,21H,4-6,15,17H2,1-3H3
InChIKeyWATQBDHDRGCQNE-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.43
Rot. Bonds7

About 4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one

4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one (PubChem CID 46338906) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one
PubChem CID46338906
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one
SMILESCCCCN(CC)C1=NC(Cc2ccccc2)C(=O)N1c1cccc(C)c1
InChIInChI=1S/C23H29N3O/c1-4-6-15-25(5-2)23-24-21(17-19-12-8-7-9-13-19)22(27)26(23)20-14-10-11-18(3)16-20/h7-14,16,21H,4-6,15,17H2,1-3H3
InChIKeyWATQBDHDRGCQNE-UHFFFAOYSA-N
XLogP4.43
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one?
The IUPAC name of 4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one (CID 46338906) is 4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one.
What is the SMILES notation for 4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one?
The canonical SMILES for 4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one is CCCCN(CC)C1=NC(Cc2ccccc2)C(=O)N1c1cccc(C)c1.
What is the InChIKey of 4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one?
The InChIKey is WATQBDHDRGCQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-4-6-15-25(5-2)23-24-21(17-19-12-8-7-9-13-19)22(27)26(23)20-14-10-11-18(3)16-20/h7-14,16,21H,4-6,15,17H2,1-3H3.
What are the key properties of 4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one?
4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one has a molecular weight of 363.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one is sourced from PubChem (CID 46338906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).