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

C17H21N3O — CID 659794

IUPACcyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCCn2c1nc1ccccc12
InChIInChI=1S/C17H21N3O/c21-16(13-7-2-1-3-8-13)20-12-6-11-19-15-10-5-4-9-14(15)18-17(19)20/h4-5,9-10,13H,1-3,6-8,11-12H2
InChIKeyHVSHHAVGLSAXTH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.35
Rot. Bonds1

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

cyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone (PubChem CID 659794) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is cyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
PubChem CID659794
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Namecyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCCn2c1nc1ccccc12
InChIInChI=1S/C17H21N3O/c21-16(13-7-2-1-3-8-13)20-12-6-11-19-15-10-5-4-9-14(15)18-17(19)20/h4-5,9-10,13H,1-3,6-8,11-12H2
InChIKeyHVSHHAVGLSAXTH-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
The IUPAC name of cyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone (CID 659794) is cyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone.
What is the SMILES notation for cyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
The canonical SMILES for cyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone is O=C(C1CCCCC1)N1CCCn2c1nc1ccccc12.
What is the InChIKey of cyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
The InChIKey is HVSHHAVGLSAXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-16(13-7-2-1-3-8-13)20-12-6-11-19-15-10-5-4-9-14(15)18-17(19)20/h4-5,9-10,13H,1-3,6-8,11-12H2.
What are the key properties of cyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone?
cyclohexyl(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.35, 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-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone is sourced from PubChem (CID 659794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).