N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide

C30H32N4O3 — CID 42830547

About N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide

N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide (PubChem CID 42830547) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide.

Molecular Properties

• Compound Name: N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
• PubChem CID: 42830547
• Molecular Formula: C30H32N4O3
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.25
• IUPAC Name: N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
• SMILES: CCC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)c(C)c1)Cc1ccccc1
• InChI: InChI=1S/C30H32N4O3/c1-5-29(36)33(18-23-9-7-6-8-10-23)20-28(35)32-30-31-27(24-12-15-26(37-4)16-13-24)19-34(30)25-14-11-21(2)22(3)17-25/h6-17,19H,5,18,20H2,1-4H3,(H,31,32,35)
• InChIKey: NGOVKBTVRCOTSM-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide?

The IUPAC name of N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide (CID 42830547) is N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide.

What is the SMILES notation for N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide?

The canonical SMILES for N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide is CCC(=O)N(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)c(C)c1)Cc1ccccc1.

What is the InChIKey of N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide?

The InChIKey is NGOVKBTVRCOTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-5-29(36)33(18-23-9-7-6-8-10-23)20-28(35)32-30-31-27(24-12-15-26(37-4)16-13-24)19-34(30)25-14-11-21(2)22(3)17-25/h6-17,19H,5,18,20H2,1-4H3,(H,31,32,35).

What are the key properties of N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide?

N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide has a molecular weight of 496.61 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 42830547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).