8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C34H37N5O2 — CID 142917775

IUPAC8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1N(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C2CC2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37N5O2/c40-31-33(39(25-35-31)29-15-8-3-9-16-29)19-23-37(24-20-33)21-10-22-38-30(26-17-18-26)36-34(32(38)41,27-11-4-1-5-12-27)28-13-6-2-7-14-28/h1-9,11-16,26H,10,17-25H2,(H,35,40)
InChIKeyDHOXVPMYTMIPSQ-UHFFFAOYSA-N
MW547.70 g/mol
LogP4.40
Rot. Bonds8

About 8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 142917775) has the molecular formula C34H37N5O2 and a molecular weight of 547.70 g/mol. Its IUPAC name is 8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID142917775
Molecular FormulaC34H37N5O2
Molecular Weight547.70 g/mol
Exact Mass547.29
IUPAC Name8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1N(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C2CC2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37N5O2/c40-31-33(39(25-35-31)29-15-8-3-9-16-29)19-23-37(24-20-33)21-10-22-38-30(26-17-18-26)36-34(32(38)41,27-11-4-1-5-12-27)28-13-6-2-7-14-28/h1-9,11-16,26H,10,17-25H2,(H,35,40)
InChIKeyDHOXVPMYTMIPSQ-UHFFFAOYSA-N
XLogP4.40
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.70
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 142917775) is 8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1N(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C2CC2)=NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is DHOXVPMYTMIPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O2/c40-31-33(39(25-35-31)29-15-8-3-9-16-29)19-23-37(24-20-33)21-10-22-38-30(26-17-18-26)36-34(32(38)41,27-11-4-1-5-12-27)28-13-6-2-7-14-28/h1-9,11-16,26H,10,17-25H2,(H,35,40).
What are the key properties of 8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 547.70 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-cyclopropyl-5-oxo-4,4-diphenylimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 142917775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).