(5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C18H23N3O3 — CID 97120689

IUPAC(5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCOc1ccc2nc(CCN3C[C@]4(CCOC4)CCC3=O)[nH]c2c1
InChIInChI=1S/C18H23N3O3/c1-23-13-2-3-14-15(10-13)20-16(19-14)5-8-21-11-18(6-4-17(21)22)7-9-24-12-18/h2-3,10H,4-9,11-12H2,1H3,(H,19,20)/t18-/m1/s1
InChIKeyJFKBKZCPRYRFHC-GOSISDBHSA-N
MW329.40 g/mol
LogP2.14
Rot. Bonds4

About (5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

(5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97120689) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97120689
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCOc1ccc2nc(CCN3C[C@]4(CCOC4)CCC3=O)[nH]c2c1
InChIInChI=1S/C18H23N3O3/c1-23-13-2-3-14-15(10-13)20-16(19-14)5-8-21-11-18(6-4-17(21)22)7-9-24-12-18/h2-3,10H,4-9,11-12H2,1H3,(H,19,20)/t18-/m1/s1
InChIKeyJFKBKZCPRYRFHC-GOSISDBHSA-N
XLogP2.14
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(3-methoxyphenyl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72939057
(5S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97145131
3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine
CID 65017552
(5R)-9-(3-pyridin-3-yloxypropyl)-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97131962
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
(5R)-9-[2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97136277
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
9-[2-(2-methylquinolin-8-yl)oxyethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 72916661
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 125179788
(5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
CID 97154280

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97120689) is (5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is COc1ccc2nc(CCN3C[C@]4(CCOC4)CCC3=O)[nH]c2c1.
What is the InChIKey of (5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is JFKBKZCPRYRFHC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-13-2-3-14-15(10-13)20-16(19-14)5-8-21-11-18(6-4-17(21)22)7-9-24-12-18/h2-3,10H,4-9,11-12H2,1H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
(5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 329.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97120689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).