1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone

C24H24N6O2 — CID 163684349

IUPAC1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESCc1ncc(N2CCN(C(=O)COc3ccccc3)CC2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H24N6O2/c1-17-23(24-26-19-9-5-6-10-20(19)27-24)28-21(15-25-17)29-11-13-30(14-12-29)22(31)16-32-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,26,27)
InChIKeyJNOJYDZSKUELAE-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.06
Rot. Bonds5

About 1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone

1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 163684349) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID163684349
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone
SMILESCc1ncc(N2CCN(C(=O)COc3ccccc3)CC2)nc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H24N6O2/c1-17-23(24-26-19-9-5-6-10-20(19)27-24)28-21(15-25-17)29-11-13-30(14-12-29)22(31)16-32-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,26,27)
InChIKeyJNOJYDZSKUELAE-UHFFFAOYSA-N
XLogP3.06
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone with MolForge

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Related Compounds

N-[1-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
CID 66744263
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 123829889
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;molecular hydrogen
CID 161182532
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741413
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618
1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121053530
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
1-[4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 123671232
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 91968699

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone (CID 163684349) is 1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone is Cc1ncc(N2CCN(C(=O)COc3ccccc3)CC2)nc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is JNOJYDZSKUELAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17-23(24-26-19-9-5-6-10-20(19)27-24)28-21(15-25-17)29-11-13-30(14-12-29)22(31)16-32-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,26,27).
What are the key properties of 1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 428.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1H-benzimidazol-2-yl)-5-methylpyrazin-2-yl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 163684349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).