4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one

C23H20N6O3 — CID 46208470

IUPAC4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O
InChIInChI=1S/C23H20N6O3/c1-28-12-13-29(14-19(28)30)22-23(25-11-10-24-22)32-16-8-6-15(7-9-16)20(31)21-26-17-4-2-3-5-18(17)27-21/h2-11H,12-14H2,1H3,(H,26,27)
InChIKeyOUGAZDLWIKVYON-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.65
Rot. Bonds5

About 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one

4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one (PubChem CID 46208470) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one
PubChem CID46208470
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O
InChIInChI=1S/C23H20N6O3/c1-28-12-13-29(14-19(28)30)22-23(25-11-10-24-22)32-16-8-6-15(7-9-16)20(31)21-26-17-4-2-3-5-18(17)27-21/h2-11H,12-14H2,1H3,(H,26,27)
InChIKeyOUGAZDLWIKVYON-UHFFFAOYSA-N
XLogP2.65
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Amg 579
CID 59351313
N~1~-(4-Fluorophenyl)-N'~1~-(4-((2-((2-(morpholin-4-yl)ethyl)carbamoyl)-1H-pyrrolo(2,3-b)pyridin-4-yl)oxy)phenyl)cyclopropane-1,1-dicarboxamide
CID 24956525
1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
CID 59326858
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-6-phenylpyridine-2-carboxamide
CID 21081778
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198
N-[5-(1,5-dimethylimidazol-2-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25181471
N-(5-(1H-imidazol-2-yl)-2-methylphenyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 25253556
N-[2-methyl-5-(1-methylimidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 67374618

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one (CID 46208470) is 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one is CN1CCN(c2nccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O.
What is the InChIKey of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one?
The InChIKey is OUGAZDLWIKVYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-28-12-13-29(14-19(28)30)22-23(25-11-10-24-22)32-16-8-6-15(7-9-16)20(31)21-26-17-4-2-3-5-18(17)27-21/h2-11H,12-14H2,1H3,(H,26,27).
What are the key properties of 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one?
4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one has a molecular weight of 428.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 46208470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).