2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one

C23H32N4O — CID 97140921

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@H](CN1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1)c1ccccc1
InChIInChI=1S/C23H32N4O/c1-19(20-5-3-2-4-6-20)16-26-13-10-23(11-14-26)9-7-22(28)27(17-23)12-8-21-15-24-18-25-21/h2-6,15,18-19H,7-14,16-17H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyUWJQTSRLMFWEFO-LJQANCHMSA-N
MW380.54 g/mol
LogP3.46
Rot. Bonds6

About 2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97140921) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97140921
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@H](CN1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1)c1ccccc1
InChIInChI=1S/C23H32N4O/c1-19(20-5-3-2-4-6-20)16-26-13-10-23(11-14-26)9-7-22(28)27(17-23)12-8-21-15-24-18-25-21/h2-6,15,18-19H,7-14,16-17H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyUWJQTSRLMFWEFO-LJQANCHMSA-N
XLogP3.46
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(5-ethyl-2-pyridinyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70758505
2-[2-(1H-imidazol-5-yl)ethyl]-9-[2-(2-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72870215
2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70759551
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70718836
2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-4-methyl-2-(methylamino)pentanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72934711
2-[(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetic acid
CID 96573844
2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70721194
9-(3-hydroxybenzoyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72903406
2-[3-oxo-9-(3-phenylbutyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70712410
2-[2-(1H-imidazol-5-yl)ethyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70777393
9-[(1R,3S)-3-aminocyclopentanecarbonyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 133131311
8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744882

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97140921) is 2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one is C[C@H](CN1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1)c1ccccc1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UWJQTSRLMFWEFO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H32N4O/c1-19(20-5-3-2-4-6-20)16-26-13-10-23(11-14-26)9-7-22(28)27(17-23)12-8-21-15-24-18-25-21/h2-6,15,18-19H,7-14,16-17H2,1H3,(H,24,25)/t19-/m1/s1.
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]-9-[(2S)-2-phenylpropyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97140921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).