N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide

C₁₈H₂₀N₄O — CID 166327019

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide (PubChem CID 166327019) has the molecular formula C₁₈H₂₀N₄O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
• PubChem CID: 166327019
• Molecular Formula: C₁₈H₂₀N₄O
• Molecular Weight: 308.39 g/mol
• Exact Mass: 308.16
• IUPAC Name: N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
• SMILES: Cc1ncn(-c2ccc(NC(=O)c3cc(C)n(C)c3)cc2)c1C
• InChI: InChI=1S/C18H20N4O/c1-12-9-15(10-21(12)4)18(23)20-16-5-7-17(8-6-16)22-11-19-13(2)14(22)3/h5-11H,1-4H3,(H,20,23)
• InChIKey: JAYBGXVCEJVSND-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 51.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.39
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide?

The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide (CID 166327019) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide.

What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide?

The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide is Cc1ncn(-c2ccc(NC(=O)c3cc(C)n(C)c3)cc2)c1C.

What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide?

The InChIKey is JAYBGXVCEJVSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-9-15(10-21(12)4)18(23)20-16-5-7-17(8-6-16)22-11-19-13(2)14(22)3/h5-11H,1-4H3,(H,20,23).

What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide?

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 166327019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166327019 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.