2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one

C19H12FN5O2 — CID 122656160

IUPAC2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one
SMILESO=c1[nH]c2ccc(-c3c(-c4ccc(F)cc4)nc4c(=O)[nH]ccn34)cc2[nH]1
InChIInChI=1S/C19H12FN5O2/c20-12-4-1-10(2-5-12)15-16(25-8-7-21-18(26)17(25)24-15)11-3-6-13-14(9-11)23-19(27)22-13/h1-9H,(H,21,26)(H2,22,23,27)
InChIKeyXKKXLWDOFPVSMP-UHFFFAOYSA-N
MW361.34 g/mol
LogP2.67
Rot. Bonds2

About 2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one

2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one (PubChem CID 122656160) has the molecular formula C19H12FN5O2 and a molecular weight of 361.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one
PubChem CID122656160
Molecular FormulaC19H12FN5O2
Molecular Weight361.34 g/mol
Exact Mass361.10
IUPAC Name2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one
SMILESO=c1[nH]c2ccc(-c3c(-c4ccc(F)cc4)nc4c(=O)[nH]ccn34)cc2[nH]1
InChIInChI=1S/C19H12FN5O2/c20-12-4-1-10(2-5-12)15-16(25-8-7-21-18(26)17(25)24-15)11-3-6-13-14(9-11)23-19(27)22-13/h1-9H,(H,21,26)(H2,22,23,27)
InChIKeyXKKXLWDOFPVSMP-UHFFFAOYSA-N
XLogP2.67
TPSA98.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-fluorophenyl)-3-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 122656030
5-[8-amino-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-3-methyl-1H-pyridin-2-one
CID 137372612
2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 56770785
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139788743
5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116892348
5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116968122
5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
CID 122656128
2-(4-fluorophenyl)-3-[3-(4-fluorophenyl)phenyl]imidazo[1,2-a]pyridine
CID 71699551
5-[8-(diethylamino)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
CID 122655899
4-[3-(2H-benzotriazol-5-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 122655955
5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 116822901
6,8-difluoro-2,3-diphenylimidazo[1,2-a]pyridine
CID 141322176

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one (CID 122656160) is 2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one is O=c1[nH]c2ccc(-c3c(-c4ccc(F)cc4)nc4c(=O)[nH]ccn34)cc2[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one?
The InChIKey is XKKXLWDOFPVSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5O2/c20-12-4-1-10(2-5-12)15-16(25-8-7-21-18(26)17(25)24-15)11-3-6-13-14(9-11)23-19(27)22-13/h1-9H,(H,21,26)(H2,22,23,27).
What are the key properties of 2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one?
2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one has a molecular weight of 361.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-7H-imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 122656160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).