3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine

C18H18BrClN6 — CID 143464664

IUPAC3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine
SMILESClc1ccccc1-c1cn2c(Br)cnc2c(NCCCN2C=NCC2)n1
InChIInChI=1S/C18H18BrClN6/c19-16-10-23-18-17(22-6-3-8-25-9-7-21-12-25)24-15(11-26(16)18)13-4-1-2-5-14(13)20/h1-2,4-5,10-12H,3,6-9H2,(H,22,24)
InChIKeyINDCFSADJBFJFB-UHFFFAOYSA-N
MW433.74 g/mol
LogP3.96
Rot. Bonds6

About 3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine

3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143464664) has the molecular formula C18H18BrClN6 and a molecular weight of 433.74 g/mol. Its IUPAC name is 3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID143464664
Molecular FormulaC18H18BrClN6
Molecular Weight433.74 g/mol
Exact Mass432.05
IUPAC Name3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine
SMILESClc1ccccc1-c1cn2c(Br)cnc2c(NCCCN2C=NCC2)n1
InChIInChI=1S/C18H18BrClN6/c19-16-10-23-18-17(22-6-3-8-25-9-7-21-12-25)24-15(11-26(16)18)13-4-1-2-5-14(13)20/h1-2,4-5,10-12H,3,6-9H2,(H,22,24)
InChIKeyINDCFSADJBFJFB-UHFFFAOYSA-N
XLogP3.96
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.74
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine (CID 143464664) is 3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine is Clc1ccccc1-c1cn2c(Br)cnc2c(NCCCN2C=NCC2)n1.
What is the InChIKey of 3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is INDCFSADJBFJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN6/c19-16-10-23-18-17(22-6-3-8-25-9-7-21-12-25)24-15(11-26(16)18)13-4-1-2-5-14(13)20/h1-2,4-5,10-12H,3,6-9H2,(H,22,24).
What are the key properties of 3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine?
3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 433.74 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2-chlorophenyl)-N-[3-(4,5-dihydroimidazol-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143464664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).