8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C21H27N3O4 — CID 126427996

IUPAC8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCCCc1nc2ccccc2n1[C@H](CC)C(=O)N1CCC2(CC1)COC(=O)O2
InChIInChI=1S/C21H27N3O4/c1-3-7-18-22-15-8-5-6-9-17(15)24(18)16(4-2)19(25)23-12-10-21(11-13-23)14-27-20(26)28-21/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3/t16-/m1/s1
InChIKeyFUPQIUHWJRWKCX-MRXNPFEDSA-N
MW385.46 g/mol
LogP3.47
Rot. Bonds5

About 8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 126427996) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID126427996
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCCCc1nc2ccccc2n1[C@H](CC)C(=O)N1CCC2(CC1)COC(=O)O2
InChIInChI=1S/C21H27N3O4/c1-3-7-18-22-15-8-5-6-9-17(15)24(18)16(4-2)19(25)23-12-10-21(11-13-23)14-27-20(26)28-21/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3/t16-/m1/s1
InChIKeyFUPQIUHWJRWKCX-MRXNPFEDSA-N
XLogP3.47
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid
CID 119062330
(2S)-2-(2-ethylbenzimidazol-1-yl)-1-(3-morpholin-4-ylazetidin-1-yl)butan-1-one
CID 97197905
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
2-(2-propylbenzimidazol-1-yl)-1-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 46993472
8-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 126432825
8-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 118772035
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one
CID 93301285
(2S)-2-(2-ethylbenzimidazol-1-yl)-1-(3-pyridin-3-ylazetidin-1-yl)butan-1-one
CID 97148028
8-[(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 124849627
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 131932959

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 126427996) is 8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is CCCc1nc2ccccc2n1[C@H](CC)C(=O)N1CCC2(CC1)COC(=O)O2.
What is the InChIKey of 8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is FUPQIUHWJRWKCX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-7-18-22-15-8-5-6-9-17(15)24(18)16(4-2)19(25)23-12-10-21(11-13-23)14-27-20(26)28-21/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 385.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-(2-propylbenzimidazol-1-yl)butanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 126427996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).