cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

C23H23N5O4 — CID 142508055

IUPACcyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
SMILESO=C1Cn2c(nc3ccc(-c4cnc5c(c4)N(C(=O)OC4CCCCC4)CCO5)cc32)N1
InChIInChI=1S/C23H23N5O4/c29-20-13-28-18-10-14(6-7-17(18)25-22(28)26-20)15-11-19-21(24-12-15)31-9-8-27(19)23(30)32-16-4-2-1-3-5-16/h6-7,10-12,16H,1-5,8-9,13H2,(H,25,26,29)
InChIKeyLQXSAERQLVAANG-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.72
Rot. Bonds2

About cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (PubChem CID 142508055) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
PubChem CID142508055
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Namecyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
SMILESO=C1Cn2c(nc3ccc(-c4cnc5c(c4)N(C(=O)OC4CCCCC4)CCO5)cc32)N1
InChIInChI=1S/C23H23N5O4/c29-20-13-28-18-10-14(6-7-17(18)25-22(28)26-20)15-11-19-21(24-12-15)31-9-8-27(19)23(30)32-16-4-2-1-3-5-16/h6-7,10-12,16H,1-5,8-9,13H2,(H,25,26,29)
InChIKeyLQXSAERQLVAANG-UHFFFAOYSA-N
XLogP3.72
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The IUPAC name of cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (CID 142508055) is cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.
What is the SMILES notation for cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The canonical SMILES for cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is O=C1Cn2c(nc3ccc(-c4cnc5c(c4)N(C(=O)OC4CCCCC4)CCO5)cc32)N1.
What is the InChIKey of cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
The InChIKey is LQXSAERQLVAANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c29-20-13-28-18-10-14(6-7-17(18)25-22(28)26-20)15-11-19-21(24-12-15)31-9-8-27(19)23(30)32-16-4-2-1-3-5-16/h6-7,10-12,16H,1-5,8-9,13H2,(H,25,26,29).
What are the key properties of cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?
cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate has a molecular weight of 433.47 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 7-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is sourced from PubChem (CID 142508055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).