2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone

C19H25N3O2 — CID 128865603

IUPAC2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCC(O)CC12CCC2
InChIInChI=1S/C19H25N3O2/c1-2-17-20-15-6-3-4-7-16(15)21(17)13-18(24)22-11-8-14(23)12-19(22)9-5-10-19/h3-4,6-7,14,23H,2,5,8-13H2,1H3
InChIKeyPSZXIIMWJSNRBQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.50
Rot. Bonds3

About 2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone

2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone (PubChem CID 128865603) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone
PubChem CID128865603
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone
SMILESCCc1nc2ccccc2n1CC(=O)N1CCC(O)CC12CCC2
InChIInChI=1S/C19H25N3O2/c1-2-17-20-15-6-3-4-7-16(15)21(17)13-18(24)22-11-8-14(23)12-19(22)9-5-10-19/h3-4,6-7,14,23H,2,5,8-13H2,1H3
InChIKeyPSZXIIMWJSNRBQ-UHFFFAOYSA-N
XLogP2.50
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,6aR)-2-[2-(2-ethylbenzimidazol-1-yl)acetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683774
2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 40713288
2-(2-ethylbenzimidazol-1-yl)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 138992910
2-(2-ethylbenzimidazol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 138993183
N-(cyclohexylmethyl)-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 55563675
2-(2-ethylbenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 16996472
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
2-(2-ethylbenzimidazol-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51219854
2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanone
CID 60975590
2-(2-ethylbenzimidazol-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)ethanone
CID 136524686
2-(2-ethylbenzimidazol-1-yl)-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92589272

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone (CID 128865603) is 2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone is CCc1nc2ccccc2n1CC(=O)N1CCC(O)CC12CCC2.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone?
The InChIKey is PSZXIIMWJSNRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-17-20-15-6-3-4-7-16(15)21(17)13-18(24)22-11-8-14(23)12-19(22)9-5-10-19/h3-4,6-7,14,23H,2,5,8-13H2,1H3.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone?
2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)ethanone is sourced from PubChem (CID 128865603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).