N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide

C24H22Cl2N4O — CID 90894982

About N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide

N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide (PubChem CID 90894982) has the molecular formula C24H22Cl2N4O and a molecular weight of 453.37 g/mol. Its IUPAC name is N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide.

Molecular Properties

• Compound Name: N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide
• PubChem CID: 90894982
• Molecular Formula: C24H22Cl2N4O
• Molecular Weight: 453.37 g/mol
• Exact Mass: 452.12
• IUPAC Name: N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide
• SMILES: CC/C(N)=N\CCCOc1c2[nH]c3ccc(Cl)cc3c2cc2c1[nH]c1ccc(Cl)cc12
• InChI: InChI=1S/C24H22Cl2N4O/c1-2-21(27)28-8-3-9-31-24-22-17(15-10-13(25)4-6-19(15)29-22)12-18-16-11-14(26)5-7-20(16)30-23(18)24/h4-7,10-12,29-30H,2-3,8-9H2,1H3,(H2,27,28)
• InChIKey: VZUGLEWMFNCZPV-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 79.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.37
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide?

The IUPAC name of N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide (CID 90894982) is N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide.

What is the SMILES notation for N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide?

The canonical SMILES for N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide is CC/C(N)=N\CCCOc1c2[nH]c3ccc(Cl)cc3c2cc2c1[nH]c1ccc(Cl)cc12.

What is the InChIKey of N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide?

The InChIKey is VZUGLEWMFNCZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O/c1-2-21(27)28-8-3-9-31-24-22-17(15-10-13(25)4-6-19(15)29-22)12-18-16-11-14(26)5-7-20(16)30-23(18)24/h4-7,10-12,29-30H,2-3,8-9H2,1H3,(H2,27,28).

What are the key properties of N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide?

N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide has a molecular weight of 453.37 g/mol, XLogP of 6.80, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-[(2,10-dichloro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]propanimidamide is sourced from PubChem (CID 90894982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).