N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide

C20H17N3O3 — CID 71797933

About N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 71797933) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 71797933
• Molecular Formula: C20H17N3O3
• Molecular Weight: 347.37 g/mol
• Exact Mass: 347.13
• IUPAC Name: N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
• SMILES: O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C20H17N3O3/c24-20(14-6-7-17-18(10-14)26-12-25-17)22-15-4-1-3-13(9-15)16-11-21-19-5-2-8-23(16)19/h1,3-4,6-7,9-11H,2,5,8,12H2,(H,22,24)
• InChIKey: KPUWMJZQABDUJC-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.37
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 71797933) is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1ccc2c(c1)OCO2.

What is the InChIKey of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is KPUWMJZQABDUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-20(14-6-7-17-18(10-14)26-12-25-17)22-15-4-1-3-13(9-15)16-11-21-19-5-2-8-23(16)19/h1,3-4,6-7,9-11H,2,5,8,12H2,(H,22,24).

What are the key properties of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide?

N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 71797933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).