N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide

C28H34ClN5O3 — CID 93150451

About N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide

N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide (PubChem CID 93150451) has the molecular formula C28H34ClN5O3 and a molecular weight of 524.07 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide
• PubChem CID: 93150451
• Molecular Formula: C28H34ClN5O3
• Molecular Weight: 524.07 g/mol
• Exact Mass: 523.24
• IUPAC Name: N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide
• SMILES: Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)NC(C)C)cc1C
• InChI: InChI=1S/C28H34ClN5O3/c1-18(2)30-28(36)33(15-24-6-5-13-37-24)17-26(35)32-27-31-25(21-8-10-22(29)11-9-21)16-34(27)23-12-7-19(3)20(4)14-23/h7-12,14,16,18,24H,5-6,13,15,17H2,1-4H3,(H,30,36)(H,31,32,35)/t24-/m0/s1
• InChIKey: UMBZBAOMXMWWOT-DEOSSOPVSA-N
• XLogP: 5.35
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.07
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide?

The IUPAC name of N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide (CID 93150451) is N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide.

What is the SMILES notation for N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide?

The canonical SMILES for N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide is Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)NC(C)C)cc1C.

What is the InChIKey of N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide?

The InChIKey is UMBZBAOMXMWWOT-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H34ClN5O3/c1-18(2)30-28(36)33(15-24-6-5-13-37-24)17-26(35)32-27-31-25(21-8-10-22(29)11-9-21)16-34(27)23-12-7-19(3)20(4)14-23/h7-12,14,16,18,24H,5-6,13,15,17H2,1-4H3,(H,30,36)(H,31,32,35)/t24-/m0/s1.

What are the key properties of N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide?

N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide has a molecular weight of 524.07 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]-2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]acetamide is sourced from PubChem (CID 93150451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).