2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone

C18H16ClN3O — CID 110872438

IUPAC2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C18H16ClN3O/c19-14-7-5-13(6-8-14)11-18(23)21-9-10-22-16-4-2-1-3-15(16)20-17(22)12-21/h1-8H,9-12H2
InChIKeyMKWJZJFFNQKWCP-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.27
Rot. Bonds2

About 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone

2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone (PubChem CID 110872438) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
PubChem CID110872438
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C18H16ClN3O/c19-14-7-5-13(6-8-14)11-18(23)21-9-10-22-16-4-2-1-3-15(16)20-17(22)12-21/h1-8H,9-12H2
InChIKeyMKWJZJFFNQKWCP-UHFFFAOYSA-N
XLogP3.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone
CID 110872437
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CID 110646911
3-(benzenesulfonyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)propan-1-one
CID 20866205
(3R)-N-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-3-carboxamide
CID 92746433
N-(4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxamide
CID 3238265
2-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)acetamide
CID 146065629
1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one
CID 112536046
2-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108568401
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
CID 87017628
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone (CID 110872438) is 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone is O=C(Cc1ccc(Cl)cc1)N1CCn2c(nc3ccccc32)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone?
The InChIKey is MKWJZJFFNQKWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-14-7-5-13(6-8-14)11-18(23)21-9-10-22-16-4-2-1-3-15(16)20-17(22)12-21/h1-8H,9-12H2.
What are the key properties of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone?
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone has a molecular weight of 325.80 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone is sourced from PubChem (CID 110872438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).