2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

C19H19Cl2N3O — CID 162675793

IUPAC2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESClc1ccc(OCCCN2CCn3c(nc4ccccc43)C2)cc1Cl
InChIInChI=1S/C19H19Cl2N3O/c20-15-7-6-14(12-16(15)21)25-11-3-8-23-9-10-24-18-5-2-1-4-17(18)22-19(24)13-23/h1-2,4-7,12H,3,8-11,13H2
InChIKeySYEHLLJNQCTGCY-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.63
Rot. Bonds5

About 2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (PubChem CID 162675793) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
PubChem CID162675793
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESClc1ccc(OCCCN2CCn3c(nc4ccccc43)C2)cc1Cl
InChIInChI=1S/C19H19Cl2N3O/c20-15-7-6-14(12-16(15)21)25-11-3-8-23-9-10-24-18-5-2-1-4-17(18)22-19(24)13-23/h1-2,4-7,12H,3,8-11,13H2
InChIKeySYEHLLJNQCTGCY-UHFFFAOYSA-N
XLogP4.63
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-Phenoxybutyl)benzimidazol-2-yl]propan-1-ol
CID 2946738
2-(phenoxymethyl)-1-propyl-1H-benzimidazole
CID 921242
2-(phenoxymethyl)-1-(propan-2-yl)-1H-1,3-benzodiazole
CID 687914
2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)-1H-benzo[d]imidazole
CID 46861858
2-(Phenoxymethyl)-1-prop-2-enylbenzimidazole
CID 716444
1-[2-(4-Chloro-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
CID 761923
2-Methyl-1-(2-phenoxyethyl)benzimidazole
CID 2851825
1-Ethyl-2-phenoxymethyl-1H-benzoimidazole
CID 709590
2-((4-chlorophenoxy)methyl)-1-phenethyl-1H-benzo[d]imidazole
CID 1260808
[1-(3-phenoxypropyl)-1H-benzimidazol-2-yl]methanol
CID 3150939
5-(2,3-Dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole
CID 46838418
6-(2,3-Dichlorophenoxy)-1-methyl-2-(trifluoromethyl)benzimidazole
CID 46838553

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The IUPAC name of 2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (CID 162675793) is 2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is Clc1ccc(OCCCN2CCn3c(nc4ccccc43)C2)cc1Cl.
What is the InChIKey of 2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The InChIKey is SYEHLLJNQCTGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c20-15-7-6-14(12-16(15)21)25-11-3-8-23-9-10-24-18-5-2-1-4-17(18)22-19(24)13-23/h1-2,4-7,12H,3,8-11,13H2.
What are the key properties of 2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole has a molecular weight of 376.29 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenoxy)propyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 162675793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).