4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one

C12H20N2O — CID 105462240

IUPAC4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one
SMILESCCc1[nH]c(=O)[nH]c1C1CCCCCC1
InChIInChI=1S/C12H20N2O/c1-2-10-11(14-12(15)13-10)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H2,13,14,15)
InChIKeySLKWUTVKYPSEPR-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.70
Rot. Bonds2

About 4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one

4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one (PubChem CID 105462240) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one
PubChem CID105462240
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one
SMILESCCc1[nH]c(=O)[nH]c1C1CCCCCC1
InChIInChI=1S/C12H20N2O/c1-2-10-11(14-12(15)13-10)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H2,13,14,15)
InChIKeySLKWUTVKYPSEPR-UHFFFAOYSA-N
XLogP2.70
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one (CID 105462240) is 4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one is CCc1[nH]c(=O)[nH]c1C1CCCCCC1.
What is the InChIKey of 4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one?
The InChIKey is SLKWUTVKYPSEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-10-11(14-12(15)13-10)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H2,13,14,15).
What are the key properties of 4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one?
4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-5-ethyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 105462240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).