2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

C18H19ClN4O2 — CID 176914329

IUPAC2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cnc[nH]1)N1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C18H19ClN4O2/c19-13-2-1-3-14(10-13)23-9-6-18(17(23)25)4-7-22(8-5-18)16(24)15-11-20-12-21-15/h1-3,10-12H,4-9H2,(H,20,21)
InChIKeyJTWOFAJSDABTCM-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.72
Rot. Bonds2

About 2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 176914329) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID176914329
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cnc[nH]1)N1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C18H19ClN4O2/c19-13-2-1-3-14(10-13)23-9-6-18(17(23)25)4-7-22(8-5-18)16(24)15-11-20-12-21-15/h1-3,10-12H,4-9H2,(H,20,21)
InChIKeyJTWOFAJSDABTCM-UHFFFAOYSA-N
XLogP2.72
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (CID 176914329) is 2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is O=C(c1cnc[nH]1)N1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O.
What is the InChIKey of 2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JTWOFAJSDABTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-13-2-1-3-14(10-13)23-9-6-18(17(23)25)4-7-22(8-5-18)16(24)15-11-20-12-21-15/h1-3,10-12H,4-9H2,(H,20,21).
What are the key properties of 2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 358.83 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 176914329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).