4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one

C13H22N2O — CID 105479629

IUPAC4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one
SMILESCC(C)c1[nH]c(=O)[nH]c1C1CCCCCC1
InChIInChI=1S/C13H22N2O/c1-9(2)11-12(15-13(16)14-11)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyKPMNUFXZWSEKLW-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.26
Rot. Bonds2

About 4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one

4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one (PubChem CID 105479629) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one
PubChem CID105479629
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one
SMILESCC(C)c1[nH]c(=O)[nH]c1C1CCCCCC1
InChIInChI=1S/C13H22N2O/c1-9(2)11-12(15-13(16)14-11)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyKPMNUFXZWSEKLW-UHFFFAOYSA-N
XLogP3.26
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one (CID 105479629) is 4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one is CC(C)c1[nH]c(=O)[nH]c1C1CCCCCC1.
What is the InChIKey of 4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one?
The InChIKey is KPMNUFXZWSEKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)11-12(15-13(16)14-11)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one?
4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one has a molecular weight of 222.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-5-propan-2-yl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 105479629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).