N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide

C29H38ClN5O2 — CID 76616028

About N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide

N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide (PubChem CID 76616028) has the molecular formula C29H38ClN5O2 and a molecular weight of 524.11 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide.

Molecular Properties

• Compound Name: N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide
• PubChem CID: 76616028
• Molecular Formula: C29H38ClN5O2
• Molecular Weight: 524.11 g/mol
• Exact Mass: 523.27
• IUPAC Name: N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide
• SMILES: CC(C)C(c1nc(-c2cccc(Cl)c2)cn1Cc1ccccc1)N(CCCN)C(=O)CN1CCOCC1
• InChI: InChI=1S/C29H38ClN5O2/c1-22(2)28(35(13-7-12-31)27(36)21-33-14-16-37-17-15-33)29-32-26(24-10-6-11-25(30)18-24)20-34(29)19-23-8-4-3-5-9-23/h3-6,8-11,18,20,22,28H,7,12-17,19,21,31H2,1-2H3
• InChIKey: CIVSPURDIGCCBW-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 76.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.11
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide?

The IUPAC name of N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide (CID 76616028) is N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide.

What is the SMILES notation for N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide?

The canonical SMILES for N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide is CC(C)C(c1nc(-c2cccc(Cl)c2)cn1Cc1ccccc1)N(CCCN)C(=O)CN1CCOCC1.

What is the InChIKey of N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide?

The InChIKey is CIVSPURDIGCCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38ClN5O2/c1-22(2)28(35(13-7-12-31)27(36)21-33-14-16-37-17-15-33)29-32-26(24-10-6-11-25(30)18-24)20-34(29)19-23-8-4-3-5-9-23/h3-6,8-11,18,20,22,28H,7,12-17,19,21,31H2,1-2H3.

What are the key properties of N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide?

N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide has a molecular weight of 524.11 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 76616028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).