8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol

C21H13F6N3O — CID 177492667

IUPAC8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESCc1nc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(-c3ccccc3)cn2c1O
InChIInChI=1S/C21H13F6N3O/c1-11-19(31)30-10-16(12-5-3-2-4-6-12)29-17(18(30)28-11)13-7-14(20(22,23)24)9-15(8-13)21(25,26)27/h2-10,31H,1H3
InChIKeyBYNDGYORUJDVFA-UHFFFAOYSA-N
MW437.34 g/mol
LogP6.11
Rot. Bonds2

About 8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol

8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 177492667) has the molecular formula C21H13F6N3O and a molecular weight of 437.34 g/mol. Its IUPAC name is 8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
PubChem CID177492667
Molecular FormulaC21H13F6N3O
Molecular Weight437.34 g/mol
Exact Mass437.10
IUPAC Name8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESCc1nc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(-c3ccccc3)cn2c1O
InChIInChI=1S/C21H13F6N3O/c1-11-19(31)30-10-16(12-5-3-2-4-6-12)29-17(18(30)28-11)13-7-14(20(22,23)24)9-15(8-13)21(25,26)27/h2-10,31H,1H3
InChIKeyBYNDGYORUJDVFA-UHFFFAOYSA-N
XLogP6.11
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3,4-dichlorophenyl)-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 177392581
2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137271431
8-hexyl-6-[4-(8-hexyl-3-hydroxy-2-methylimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-ol
CID 136870464
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
8-benzyl-6-(3-methylphenyl)-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-ol
CID 158012786
8-anthracen-9-yl-2-tert-butyl-6-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-ol
CID 137271430
2-(furan-2-ylmethyl)-6-phenyl-8-pyridin-4-ylimidazo[1,2-a]pyrazin-3-ol
CID 137285364
8-(2-chloro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137285354
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 156511503
2-tert-butyl-6-[4-(dimethylamino)phenyl]-8-naphthalen-1-ylimidazo[1,2-a]pyrazin-3-ol
CID 137271434
1-benzyl-2,4,5-tris[3,5-bis(trifluoromethyl)phenyl]imidazole
CID 138757291
2-phenylimidazo[1,2-f]phenanthridin-11-ol
CID 163435365

Frequently Asked Questions

What is the IUPAC name of 8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol (CID 177492667) is 8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol is Cc1nc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(-c3ccccc3)cn2c1O.
What is the InChIKey of 8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The InChIKey is BYNDGYORUJDVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N3O/c1-11-19(31)30-10-16(12-5-3-2-4-6-12)29-17(18(30)28-11)13-7-14(20(22,23)24)9-15(8-13)21(25,26)27/h2-10,31H,1H3.
What are the key properties of 8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 437.34 g/mol, XLogP of 6.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 177492667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).