N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide

C32H36N4O4 — CID 46146480

About N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide

N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 46146480) has the molecular formula C32H36N4O4 and a molecular weight of 540.66 g/mol. Its IUPAC name is N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide
• PubChem CID: 46146480
• Molecular Formula: C32H36N4O4
• Molecular Weight: 540.66 g/mol
• Exact Mass: 540.27
• IUPAC Name: N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide
• SMILES: COc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccc(OC)cc3)cn2-c2ccc(C)c(C)c2)CC(C)C)cc1
• InChI: InChI=1S/C32H36N4O4/c1-21(2)18-35(31(38)25-10-15-28(40-6)16-11-25)20-30(37)34-32-33-29(24-8-13-27(39-5)14-9-24)19-36(32)26-12-7-22(3)23(4)17-26/h7-17,19,21H,18,20H2,1-6H3,(H,33,34,37)
• InChIKey: DQGXJBBFZAIDCE-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.66
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide (CID 46146480) is N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide.

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

The canonical SMILES for N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide is COc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccc(OC)cc3)cn2-c2ccc(C)c(C)c2)CC(C)C)cc1.

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

The InChIKey is DQGXJBBFZAIDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O4/c1-21(2)18-35(31(38)25-10-15-28(40-6)16-11-25)20-30(37)34-32-33-29(24-8-13-27(39-5)14-9-24)19-36(32)26-12-7-22(3)23(4)17-26/h7-17,19,21H,18,20H2,1-6H3,(H,33,34,37).

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

N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 540.66 g/mol, XLogP of 5.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46146480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).