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

C18H21ClN4O3 — CID 70760134

IUPAC8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)Cc3nc4ccc(Cl)cc4[nH]3)CC2)OC1=O
InChIInChI=1S/C18H21ClN4O3/c1-2-22-11-18(26-17(22)25)5-7-23(8-6-18)16(24)10-15-20-13-4-3-12(19)9-14(13)21-15/h3-4,9H,2,5-8,10-11H2,1H3,(H,20,21)
InChIKeyYKAYVLNDMQOXNC-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.59
Rot. Bonds3

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

8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70760134) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70760134
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)Cc3nc4ccc(Cl)cc4[nH]3)CC2)OC1=O
InChIInChI=1S/C18H21ClN4O3/c1-2-22-11-18(26-17(22)25)5-7-23(8-6-18)16(24)10-15-20-13-4-3-12(19)9-14(13)21-15/h3-4,9H,2,5-8,10-11H2,1H3,(H,20,21)
InChIKeyYKAYVLNDMQOXNC-UHFFFAOYSA-N
XLogP2.59
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]piperazin-1-yl]propanoic acid
CID 118782007
8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166330448
3-ethyl-8-[2-(5-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70720566
7-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892927
3-ethyl-8-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70746131
2-(6-chloro-1H-benzimidazol-2-yl)-1-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)ethanone
CID 56897498
1-(azepan-1-yl)-2-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]ethanone
CID 134696462
3-ethyl-8-[(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 136738174
8-(6-chloroimidazo[1,2-a]pyrimidine-2-carbonyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70768925
8-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776689
4-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
CID 22975687
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 121498272

Frequently Asked Questions

What is the IUPAC name of 8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70760134) is 8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(C(=O)Cc3nc4ccc(Cl)cc4[nH]3)CC2)OC1=O.
What is the InChIKey of 8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YKAYVLNDMQOXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-2-22-11-18(26-17(22)25)5-7-23(8-6-18)16(24)10-15-20-13-4-3-12(19)9-14(13)21-15/h3-4,9H,2,5-8,10-11H2,1H3,(H,20,21).
What are the key properties of 8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 376.84 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70760134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).