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

C17H21N3O — CID 4131954

IUPACcyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone
SMILESO=C(C1CCCCC1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C17H21N3O/c21-17(13-6-2-1-3-7-13)19-10-11-20-15-9-5-4-8-14(15)18-16(20)12-19/h4-5,8-9,13H,1-3,6-7,10-12H2
InChIKeyDBCDSRLCBXIRQN-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.96
Rot. Bonds1

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

cyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone (PubChem CID 4131954) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is cyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone
PubChem CID4131954
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Namecyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone
SMILESO=C(C1CCCCC1)N1CCn2c(nc3ccccc32)C1
InChIInChI=1S/C17H21N3O/c21-17(13-6-2-1-3-7-13)19-10-11-20-15-9-5-4-8-14(15)18-16(20)12-19/h4-5,8-9,13H,1-3,6-7,10-12H2
InChIKeyDBCDSRLCBXIRQN-UHFFFAOYSA-N
XLogP2.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone?
The IUPAC name of cyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone (CID 4131954) is cyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone.
What is the SMILES notation for cyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone?
The canonical SMILES for cyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone is O=C(C1CCCCC1)N1CCn2c(nc3ccccc32)C1.
What is the InChIKey of cyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone?
The InChIKey is DBCDSRLCBXIRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(13-6-2-1-3-7-13)19-10-11-20-15-9-5-4-8-14(15)18-16(20)12-19/h4-5,8-9,13H,1-3,6-7,10-12H2.
What are the key properties of cyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone?
cyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone has a molecular weight of 283.37 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)methanone is sourced from PubChem (CID 4131954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).