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

C19H16Cl2N4O — CID 90557325

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

1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea (PubChem CID 90557325) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
• PubChem CID: 90557325
• Molecular Formula: C19H16Cl2N4O
• Molecular Weight: 387.27 g/mol
• Exact Mass: 386.07
• IUPAC Name: 1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
• SMILES: O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)Nc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C19H16Cl2N4O/c20-15-8-7-14(10-16(15)21)24-19(26)23-13-5-3-12(4-6-13)17-11-22-18-2-1-9-25(17)18/h3-8,10-11H,1-2,9H2,(H2,23,24,26)
• InChIKey: QRLKRJBPZPKRBX-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.27
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea (CID 90557325) is 1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea.

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

The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea is O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)Nc1ccc(Cl)c(Cl)c1.

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

The InChIKey is QRLKRJBPZPKRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c20-15-8-7-14(10-16(15)21)24-19(26)23-13-5-3-12(4-6-13)17-11-22-18-2-1-9-25(17)18/h3-8,10-11H,1-2,9H2,(H2,23,24,26).

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

1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea has a molecular weight of 387.27 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dichlorophenyl)-3-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea is sourced from PubChem (CID 90557325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).