2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole

C24H18Cl2N4O — CID 59239007

IUPAC2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole
SMILESClc1ccc2[nH]c3c(OCCCn4ccnc4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1
InChIInChI=1S/C24H18Cl2N4O/c25-14-2-4-20-16(10-14)18-12-19-17-11-15(26)3-5-21(17)29-23(19)24(22(18)28-20)31-9-1-7-30-8-6-27-13-30/h2-6,8,10-13,28-29H,1,7,9H2
InChIKeyOASTVDFRUIFAQX-UHFFFAOYSA-N
MW449.34 g/mol
LogP6.93
Rot. Bonds5

About 2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole

2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 59239007) has the molecular formula C24H18Cl2N4O and a molecular weight of 449.34 g/mol. Its IUPAC name is 2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID59239007
Molecular FormulaC24H18Cl2N4O
Molecular Weight449.34 g/mol
Exact Mass448.09
IUPAC Name2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole
SMILESClc1ccc2[nH]c3c(OCCCn4ccnc4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1
InChIInChI=1S/C24H18Cl2N4O/c25-14-2-4-20-16(10-14)18-12-19-17-11-15(26)3-5-21(17)29-23(19)24(22(18)28-20)31-9-1-7-30-8-6-27-13-30/h2-6,8,10-13,28-29H,1,7,9H2
InChIKeyOASTVDFRUIFAQX-UHFFFAOYSA-N
XLogP6.93
TPSA58.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.34
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole (CID 59239007) is 2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole is Clc1ccc2[nH]c3c(OCCCn4ccnc4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1.
What is the InChIKey of 2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is OASTVDFRUIFAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O/c25-14-2-4-20-16(10-14)18-12-19-17-11-15(26)3-5-21(17)29-23(19)24(22(18)28-20)31-9-1-7-30-8-6-27-13-30/h2-6,8,10-13,28-29H,1,7,9H2.
What are the key properties of 2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole?
2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 449.34 g/mol, XLogP of 6.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 59239007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).