1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

C22H24N4O2 — CID 16672324

IUPAC1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCCn1c(CN2CCC3(CC2)NC(=O)c2ccccc2O3)nc2ccccc21
InChIInChI=1S/C22H24N4O2/c1-2-26-18-9-5-4-8-17(18)23-20(26)15-25-13-11-22(12-14-25)24-21(27)16-7-3-6-10-19(16)28-22/h3-10H,2,11-15H2,1H3,(H,24,27)
InChIKeyZMUQLCSESIAGIA-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.17
Rot. Bonds3

About 1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (PubChem CID 16672324) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
PubChem CID16672324
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCCn1c(CN2CCC3(CC2)NC(=O)c2ccccc2O3)nc2ccccc21
InChIInChI=1S/C22H24N4O2/c1-2-26-18-9-5-4-8-17(18)23-20(26)15-25-13-11-22(12-14-25)24-21(27)16-7-3-6-10-19(16)28-22/h3-10H,2,11-15H2,1H3,(H,24,27)
InChIKeyZMUQLCSESIAGIA-UHFFFAOYSA-N
XLogP3.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (CID 16672324) is 1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is CCn1c(CN2CCC3(CC2)NC(=O)c2ccccc2O3)nc2ccccc21.
What is the InChIKey of 1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The InChIKey is ZMUQLCSESIAGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-26-18-9-5-4-8-17(18)23-20(26)15-25-13-11-22(12-14-25)24-21(27)16-7-3-6-10-19(16)28-22/h3-10H,2,11-15H2,1H3,(H,24,27).
What are the key properties of 1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one has a molecular weight of 376.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1-ethylbenzimidazol-2-yl)methyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is sourced from PubChem (CID 16672324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).