2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine

C18H15Cl2FN4 — CID 142789409

IUPAC2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
SMILESNc1c(-c2ccc(F)c(-c3ccc(Cl)c(Cl)c3)c2)nc2n1CCNC2
InChIInChI=1S/C18H15Cl2FN4/c19-13-3-1-10(8-14(13)20)12-7-11(2-4-15(12)21)17-18(22)25-6-5-23-9-16(25)24-17/h1-4,7-8,23H,5-6,9,22H2
InChIKeyIPJOQOKHKKMKFL-UHFFFAOYSA-N
MW377.25 g/mol
LogP4.35
Rot. Bonds2

About 2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine

2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine (PubChem CID 142789409) has the molecular formula C18H15Cl2FN4 and a molecular weight of 377.25 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
PubChem CID142789409
Molecular FormulaC18H15Cl2FN4
Molecular Weight377.25 g/mol
Exact Mass376.07
IUPAC Name2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
SMILESNc1c(-c2ccc(F)c(-c3ccc(Cl)c(Cl)c3)c2)nc2n1CCNC2
InChIInChI=1S/C18H15Cl2FN4/c19-13-3-1-10(8-14(13)20)12-7-11(2-4-15(12)21)17-18(22)25-6-5-23-9-16(25)24-17/h1-4,7-8,23H,5-6,9,22H2
InChIKeyIPJOQOKHKKMKFL-UHFFFAOYSA-N
XLogP4.35
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine (CID 142789409) is 2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine is Nc1c(-c2ccc(F)c(-c3ccc(Cl)c(Cl)c3)c2)nc2n1CCNC2.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
The InChIKey is IPJOQOKHKKMKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4/c19-13-3-1-10(8-14(13)20)12-7-11(2-4-15(12)21)17-18(22)25-6-5-23-9-16(25)24-17/h1-4,7-8,23H,5-6,9,22H2.
What are the key properties of 2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine has a molecular weight of 377.25 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 142789409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).