2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide

C19H15Cl2N3O — CID 90557186

About 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide

2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide (PubChem CID 90557186) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
• PubChem CID: 90557186
• Molecular Formula: C19H15Cl2N3O
• Molecular Weight: 372.26 g/mol
• Exact Mass: 371.06
• IUPAC Name: 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide
• SMILES: O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C19H15Cl2N3O/c20-13-5-8-15(16(21)10-13)19(25)23-14-6-3-12(4-7-14)17-11-22-18-2-1-9-24(17)18/h3-8,10-11H,1-2,9H2,(H,23,25)
• InChIKey: GHWYKWXUVCETHI-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.26
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide (CID 90557186) is 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide?

The InChIKey is GHWYKWXUVCETHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c20-13-5-8-15(16(21)10-13)19(25)23-14-6-3-12(4-7-14)17-11-22-18-2-1-9-24(17)18/h3-8,10-11H,1-2,9H2,(H,23,25).

What are the key properties of 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide?

2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide has a molecular weight of 372.26 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 90557186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).