8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C18H24N6O2 — CID 70713311

IUPAC8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)c3ncc[nH]3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C18H24N6O2/c25-15-2-5-18(11-23(15)9-3-14-10-19-13-22-14)4-1-8-24(12-18)17(26)16-20-6-7-21-16/h6-7,10,13H,1-5,8-9,11-12H2,(H,19,22)(H,20,21)
InChIKeyWWABUWQJCCBDKT-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.22
Rot. Bonds4

About 8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70713311) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70713311
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)c3ncc[nH]3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C18H24N6O2/c25-15-2-5-18(11-23(15)9-3-14-10-19-13-22-14)4-1-8-24(12-18)17(26)16-20-6-7-21-16/h6-7,10,13H,1-5,8-9,11-12H2,(H,19,22)(H,20,21)
InChIKeyWWABUWQJCCBDKT-UHFFFAOYSA-N
XLogP1.22
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 122184249
CID 122184249
CID 122184250
CID 122184250
(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-tert-butyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide
CID 44422086
(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 44326378
(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-cyclohexyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide
CID 44422091
(4aS*,8aR*)-1-[2-(1H-imidazol-4-yl)ethyl]-6-[(1-methyl-1H-imidazol-2-yl)methyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56885865
8-(cyclopentylcarbonyl)-2-[2-(1H-imidazol-4-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706292
N-(2-{8-[2-(1H-imidazol-4-yl)ethyl]-9-oxo-2,8-diazaspiro[5.5]undec-2-yl}-2-oxoethyl)acetamide
CID 70715593
8-[2-(1H-Imidazol-4-YL)ethyl]-9-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-2-carboxamide
CID 70725268
isopropyl 8-[2-(1H-imidazol-4-yl)ethyl]-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate
CID 70736273
8-(N,N-dimethylglycyl)-2-[2-(1H-imidazol-4-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70755439
2-[2-(1H-Imidazol-4-YL)ethyl]-8-(3-methoxypropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72883695

Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70713311) is 8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(C(=O)c3ncc[nH]3)C2)CN1CCc1cnc[nH]1.
What is the InChIKey of 8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is WWABUWQJCCBDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-15-2-5-18(11-23(15)9-3-14-10-19-13-22-14)4-1-8-24(12-18)17(26)16-20-6-7-21-16/h6-7,10,13H,1-5,8-9,11-12H2,(H,19,22)(H,20,21).
What are the key properties of 8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.43 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazole-2-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70713311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).