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

C19H18ClFN4 — CID 57495900

IUPAC2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(Nc2c(-c3ccc(Cl)c(F)c3)nc3n2CCNC3)cc1
InChIInChI=1S/C19H18ClFN4/c1-12-2-5-14(6-3-12)23-19-18(13-4-7-15(20)16(21)10-13)24-17-11-22-8-9-25(17)19/h2-7,10,22-23H,8-9,11H2,1H3
InChIKeyIBTDJGXNNUFNME-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.50
Rot. Bonds3

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

2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine (PubChem CID 57495900) has the molecular formula C19H18ClFN4 and a molecular weight of 356.83 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
PubChem CID57495900
Molecular FormulaC19H18ClFN4
Molecular Weight356.83 g/mol
Exact Mass356.12
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(Nc2c(-c3ccc(Cl)c(F)c3)nc3n2CCNC3)cc1
InChIInChI=1S/C19H18ClFN4/c1-12-2-5-14(6-3-12)23-19-18(13-4-7-15(20)16(21)10-13)24-17-11-22-8-9-25(17)19/h2-7,10,22-23H,8-9,11H2,1H3
InChIKeyIBTDJGXNNUFNME-UHFFFAOYSA-N
XLogP4.50
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(4-pentylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
CID 58179146
N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
CID 58178818
2-[3-(3,4-dichlorophenyl)-4-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
CID 142789409
2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
CID 68786229
1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(4-methylphenyl)propan-1-one
CID 123861705
2-(4-chlorophenyl)-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
CID 46950181
1-[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2,2-dimethylbutan-1-one
CID 58179051
N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-7-[3-methyl-3-(methylamino)but-1-en-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
CID 123912007
3-(3,4-difluoroanilino)-2-(4-fluorophenyl)-9,9-dimethyl-6,7,10,11-tetrahydro-5H-imidazo[1,2-a][1,4,7]triazonin-8-one
CID 67266908
(2S)-2-amino-1-[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methylbutan-1-one
CID 57495867
2-(4-chloro-3-fluorophenyl)-7-(4-methylphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
CID 142789476
(2S)-2-amino-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 58179168

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine (CID 57495900) is 2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine is Cc1ccc(Nc2c(-c3ccc(Cl)c(F)c3)nc3n2CCNC3)cc1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
The InChIKey is IBTDJGXNNUFNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4/c1-12-2-5-14(6-3-12)23-19-18(13-4-7-15(20)16(21)10-13)24-17-11-22-8-9-25(17)19/h2-7,10,22-23H,8-9,11H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine?
2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine has a molecular weight of 356.83 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 57495900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).