N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide

C41H51N7O2 — CID 143630577

About N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide

N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide (PubChem CID 143630577) has the molecular formula C41H51N7O2 and a molecular weight of 673.91 g/mol. Its IUPAC name is N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide.

Molecular Properties

• Compound Name: N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide
• PubChem CID: 143630577
• Molecular Formula: C41H51N7O2
• Molecular Weight: 673.91 g/mol
• Exact Mass: 673.41
• IUPAC Name: N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide
• SMILES: CCCN(Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(CCC)C(=O)C(c5ccccc5)N(CC)CC)[nH]4)cc3)cc2)[nH]1)C(=O)CC
• InChI: InChI=1S/C41H51N7O2/c1-6-24-47(39(49)8-3)28-37-42-26-35(44-37)32-20-16-30(17-21-32)31-18-22-33(23-19-31)36-27-43-38(45-36)29-48(25-7-2)41(50)40(46(9-4)10-5)34-14-12-11-13-15-34/h11-23,26-27,40H,6-10,24-25,28-29H2,1-5H3,(H,42,44)(H,43,45)
• InChIKey: MBANCYDIVHMUSA-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 101.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.91
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide?

The IUPAC name of N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide (CID 143630577) is N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide.

What is the SMILES notation for N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide?

The canonical SMILES for N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide is CCCN(Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(CCC)C(=O)C(c5ccccc5)N(CC)CC)[nH]4)cc3)cc2)[nH]1)C(=O)CC.

What is the InChIKey of N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide?

The InChIKey is MBANCYDIVHMUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H51N7O2/c1-6-24-47(39(49)8-3)28-37-42-26-35(44-37)32-20-16-30(17-21-32)31-18-22-33(23-19-31)36-27-43-38(45-36)29-48(25-7-2)41(50)40(46(9-4)10-5)34-14-12-11-13-15-34/h11-23,26-27,40H,6-10,24-25,28-29H2,1-5H3,(H,42,44)(H,43,45).

What are the key properties of N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide?

N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide has a molecular weight of 673.91 g/mol, XLogP of 8.10, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide is sourced from PubChem (CID 143630577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).