3-butyl-8,11-dichloroimidazo[4,5-a]acridine

C18H15Cl2N3 — CID 42638518

IUPAC3-butyl-8,11-dichloroimidazo[4,5-a]acridine
SMILESCCCCn1cnc2c3c(Cl)c4ccc(Cl)cc4nc3ccc21
InChIInChI=1S/C18H15Cl2N3/c1-2-3-8-23-10-21-18-15(23)7-6-13-16(18)17(20)12-5-4-11(19)9-14(12)22-13/h4-7,9-10H,2-3,8H2,1H3
InChIKeyLPXDUNXPNOVHPA-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.84
Rot. Bonds3

About 3-butyl-8,11-dichloroimidazo[4,5-a]acridine

3-butyl-8,11-dichloroimidazo[4,5-a]acridine (PubChem CID 42638518) has the molecular formula C18H15Cl2N3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-butyl-8,11-dichloroimidazo[4,5-a]acridine.

Molecular Properties

Compound Name3-butyl-8,11-dichloroimidazo[4,5-a]acridine
PubChem CID42638518
Molecular FormulaC18H15Cl2N3
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name3-butyl-8,11-dichloroimidazo[4,5-a]acridine
SMILESCCCCn1cnc2c3c(Cl)c4ccc(Cl)cc4nc3ccc21
InChIInChI=1S/C18H15Cl2N3/c1-2-3-8-23-10-21-18-15(23)7-6-13-16(18)17(20)12-5-4-11(19)9-14(12)22-13/h4-7,9-10H,2-3,8H2,1H3
InChIKeyLPXDUNXPNOVHPA-UHFFFAOYSA-N
XLogP5.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-(3-methoxypropyl)benzimidazole
CID 46308557
6-(1-butylbenzimidazol-5-yl)-2-chloro-9-methylpurine
CID 89304381
1-butyl-5-fluorobenzimidazole
CID 134239298
2-butyl-6-chloroindazole
CID 125485264
1-butyl-6-chloroindole
CID 67583801
6,9-dichloro-1-methoxyacridine
CID 54563555
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
9-chloro-6-nonylindolo[3,2-b]quinoxaline
CID 2045581
bis(1-butylbenzimidazole);ethane
CID 142164287
5-chloro-3-ethyl-1-propylindazole
CID 123245201
9-butyl-2-chloro-N-methylpurin-6-amine
CID 142222305
1-(1-butyl-6-chloroindol-3-yl)ethanol
CID 83945241

Frequently Asked Questions

What is the IUPAC name of 3-butyl-8,11-dichloroimidazo[4,5-a]acridine?
The IUPAC name of 3-butyl-8,11-dichloroimidazo[4,5-a]acridine (CID 42638518) is 3-butyl-8,11-dichloroimidazo[4,5-a]acridine.
What is the SMILES notation for 3-butyl-8,11-dichloroimidazo[4,5-a]acridine?
The canonical SMILES for 3-butyl-8,11-dichloroimidazo[4,5-a]acridine is CCCCn1cnc2c3c(Cl)c4ccc(Cl)cc4nc3ccc21.
What is the InChIKey of 3-butyl-8,11-dichloroimidazo[4,5-a]acridine?
The InChIKey is LPXDUNXPNOVHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3/c1-2-3-8-23-10-21-18-15(23)7-6-13-16(18)17(20)12-5-4-11(19)9-14(12)22-13/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 3-butyl-8,11-dichloroimidazo[4,5-a]acridine?
3-butyl-8,11-dichloroimidazo[4,5-a]acridine has a molecular weight of 344.25 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8,11-dichloroimidazo[4,5-a]acridine is sourced from PubChem (CID 42638518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).