N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide

C32H43N7O — CID 21084508

About N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide

N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide (PubChem CID 21084508) has the molecular formula C32H43N7O and a molecular weight of 541.74 g/mol. Its IUPAC name is N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

• Compound Name: N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide
• PubChem CID: 21084508
• Molecular Formula: C32H43N7O
• Molecular Weight: 541.74 g/mol
• Exact Mass: 541.35
• IUPAC Name: N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide
• SMILES: CCCC(c1ncc[nH]1)N(Cc1ccc(C(=O)Nc2ccc(CN(CCC)CCC)cc2)cc1)Cc1ncc[nH]1
• InChI: InChI=1S/C32H43N7O/c1-4-7-29(31-35-18-19-36-31)39(24-30-33-16-17-34-30)23-26-8-12-27(13-9-26)32(40)37-28-14-10-25(11-15-28)22-38(20-5-2)21-6-3/h8-19,29H,4-7,20-24H2,1-3H3,(H,33,34)(H,35,36)(H,37,40)
• InChIKey: CGNFXNYRSZRWCC-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 92.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.74
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide?

The IUPAC name of N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide (CID 21084508) is N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide.

What is the SMILES notation for N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide?

The canonical SMILES for N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide is CCCC(c1ncc[nH]1)N(Cc1ccc(C(=O)Nc2ccc(CN(CCC)CCC)cc2)cc1)Cc1ncc[nH]1.

What is the InChIKey of N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide?

The InChIKey is CGNFXNYRSZRWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O/c1-4-7-29(31-35-18-19-36-31)39(24-30-33-16-17-34-30)23-26-8-12-27(13-9-26)32(40)37-28-14-10-25(11-15-28)22-38(20-5-2)21-6-3/h8-19,29H,4-7,20-24H2,1-3H3,(H,33,34)(H,35,36)(H,37,40).

What are the key properties of N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide?

N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 541.74 g/mol, XLogP of 6.55, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 21084508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).