1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one

C15H26N2OS — CID 105344656

IUPAC1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one
SMILESO=c1n(CCCCCCCCCS)ccn1C1CC1
InChIInChI=1S/C15H26N2OS/c18-15-16(11-12-17(15)14-8-9-14)10-6-4-2-1-3-5-7-13-19/h11-12,14,19H,1-10,13H2
InChIKeyREUOODVXHOIGFN-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.65
Rot. Bonds10

About 1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one

1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one (PubChem CID 105344656) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one
PubChem CID105344656
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one
SMILESO=c1n(CCCCCCCCCS)ccn1C1CC1
InChIInChI=1S/C15H26N2OS/c18-15-16(11-12-17(15)14-8-9-14)10-6-4-2-1-3-5-7-13-19/h11-12,14,19H,1-10,13H2
InChIKeyREUOODVXHOIGFN-UHFFFAOYSA-N
XLogP3.65
TPSA26.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one (CID 105344656) is 1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one is O=c1n(CCCCCCCCCS)ccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one?
The InChIKey is REUOODVXHOIGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c18-15-16(11-12-17(15)14-8-9-14)10-6-4-2-1-3-5-7-13-19/h11-12,14,19H,1-10,13H2.
What are the key properties of 1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one?
1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one has a molecular weight of 282.45 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(9-sulfanylnonyl)imidazol-2-one is sourced from PubChem (CID 105344656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).