8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H22N4O2 — CID 145497597

IUPAC8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCc1ccc2nc(N3CCC4(CC3)CN(C)C(=O)O4)[nH]c2c1
InChIInChI=1S/C17H22N4O2/c1-3-12-4-5-13-14(10-12)19-15(18-13)21-8-6-17(7-9-21)11-20(2)16(22)23-17/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19)
InChIKeyUBBGZKYMWSROKD-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.55
Rot. Bonds2

About 8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 145497597) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID145497597
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCc1ccc2nc(N3CCC4(CC3)CN(C)C(=O)O4)[nH]c2c1
InChIInChI=1S/C17H22N4O2/c1-3-12-4-5-13-14(10-12)19-15(18-13)21-8-6-17(7-9-21)11-20(2)16(22)23-17/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19)
InChIKeyUBBGZKYMWSROKD-UHFFFAOYSA-N
XLogP2.55
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

7-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892927
(2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride
CID 176987845
2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole
CID 107002122
8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70760134
3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56888587
1'-(6-isocyano-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 20587800
(5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719850
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
1'-(6-chloro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 22325336
(5R)-9-(1-benzofuran-5-ylmethyl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719928
8-(dibenzofuran-2-ylmethyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70721237
1'-(6-nitro-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 44580667

Frequently Asked Questions

What is the IUPAC name of 8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 145497597) is 8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCc1ccc2nc(N3CCC4(CC3)CN(C)C(=O)O4)[nH]c2c1.
What is the InChIKey of 8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UBBGZKYMWSROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-12-4-5-13-14(10-12)19-15(18-13)21-8-6-17(7-9-21)11-20(2)16(22)23-17/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19).
What are the key properties of 8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 314.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 145497597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).