2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

C18H18BrN3 — CID 162657401

IUPAC2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESBrc1ccc(CCN2CCn3c(nc4ccccc43)C2)cc1
InChIInChI=1S/C18H18BrN3/c19-15-7-5-14(6-8-15)9-10-21-11-12-22-17-4-2-1-3-16(17)20-18(22)13-21/h1-8H,9-13H2
InChIKeyDFPTTYWYHUSWOX-UHFFFAOYSA-N
MW356.27 g/mol
LogP3.86
Rot. Bonds3

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

2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (PubChem CID 162657401) has the molecular formula C18H18BrN3 and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
PubChem CID162657401
Molecular FormulaC18H18BrN3
Molecular Weight356.27 g/mol
Exact Mass355.07
IUPAC Name2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESBrc1ccc(CCN2CCn3c(nc4ccccc43)C2)cc1
InChIInChI=1S/C18H18BrN3/c19-15-7-5-14(6-8-15)9-10-21-11-12-22-17-4-2-1-3-16(17)20-18(22)13-21/h1-8H,9-13H2
InChIKeyDFPTTYWYHUSWOX-UHFFFAOYSA-N
XLogP3.86
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (CID 162657401) is 2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is Brc1ccc(CCN2CCn3c(nc4ccccc43)C2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The InChIKey is DFPTTYWYHUSWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3/c19-15-7-5-14(6-8-15)9-10-21-11-12-22-17-4-2-1-3-16(17)20-18(22)13-21/h1-8H,9-13H2.
What are the key properties of 2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole has a molecular weight of 356.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 162657401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).