2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone

C18H18N6O2 — CID 110814290

IUPAC2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc2nc[nH]c2c1)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C18H18N6O2/c25-17(10-13-1-2-14-15(9-13)22-12-21-14)23-5-7-24(8-6-23)18(26)16-11-19-3-4-20-16/h1-4,9,11-12H,5-8,10H2,(H,21,22)
InChIKeyIBBFOLIFEQGMFZ-UHFFFAOYSA-N
MW350.38 g/mol
LogP0.88
Rot. Bonds3

About 2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone

2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110814290) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID110814290
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc2nc[nH]c2c1)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C18H18N6O2/c25-17(10-13-1-2-14-15(9-13)22-12-21-14)23-5-7-24(8-6-23)18(26)16-11-19-3-4-20-16/h1-4,9,11-12H,5-8,10H2,(H,21,22)
InChIKeyIBBFOLIFEQGMFZ-UHFFFAOYSA-N
XLogP0.88
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 110814291
2-(3H-benzimidazol-5-yl)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110802316
methyl 4-[2-(3H-benzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110803448
methyl 4-[4-[2-(3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801390
2-(3,4-dimethoxyphenyl)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108548030
3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108536947
ethyl 1-[2-(3H-benzimidazol-5-yl)acetyl]piperidine-4-carboxylate
CID 110772416
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110816410
3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 154802619
3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558946
[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone (CID 110814290) is 2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1ccc2nc[nH]c2c1)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is IBBFOLIFEQGMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17(10-13-1-2-14-15(9-13)22-12-21-14)23-5-7-24(8-6-23)18(26)16-11-19-3-4-20-16/h1-4,9,11-12H,5-8,10H2,(H,21,22).
What are the key properties of 2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 350.38 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110814290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).