4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide

C22H29N5O — CID 3741634

About 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide

4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide (PubChem CID 3741634) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide
• PubChem CID: 3741634
• Molecular Formula: C22H29N5O
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.24
• IUPAC Name: 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide
• SMILES: CCCc1c(-c2ccc(N(C)C)cc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
• InChI: InChI=1S/C22H29N5O/c1-5-6-19-21(16-7-9-18(10-8-16)26(3)4)20(22(23)28)15(2)27(19)12-11-17-13-24-14-25-17/h7-10,13-14H,5-6,11-12H2,1-4H3,(H2,23,28)(H,24,25)
• InChIKey: JLIBMJVLPZRFIS-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 79.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide?

The IUPAC name of 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide (CID 3741634) is 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide.

What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide?

The canonical SMILES for 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide is CCCc1c(-c2ccc(N(C)C)cc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1.

What is the InChIKey of 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide?

The InChIKey is JLIBMJVLPZRFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-5-6-19-21(16-7-9-18(10-8-16)26(3)4)20(22(23)28)15(2)27(19)12-11-17-13-24-14-25-17/h7-10,13-14H,5-6,11-12H2,1-4H3,(H2,23,28)(H,24,25).

What are the key properties of 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide?

4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 3741634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).