3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one

C10H17N3O — CID 103124638

IUPAC3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one
SMILESCNC1CCC(n2cc[nH]c2=O)CC1
InChIInChI=1S/C10H17N3O/c1-11-8-2-4-9(5-3-8)13-7-6-12-10(13)14/h6-9,11H,2-5H2,1H3,(H,12,14)
InChIKeySVGREMDTLUSGIO-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.88
Rot. Bonds2

About 3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one

3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one (PubChem CID 103124638) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one
PubChem CID103124638
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one
SMILESCNC1CCC(n2cc[nH]c2=O)CC1
InChIInChI=1S/C10H17N3O/c1-11-8-2-4-9(5-3-8)13-7-6-12-10(13)14/h6-9,11H,2-5H2,1H3,(H,12,14)
InChIKeySVGREMDTLUSGIO-UHFFFAOYSA-N
XLogP0.88
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one (CID 103124638) is 3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one is CNC1CCC(n2cc[nH]c2=O)CC1.
What is the InChIKey of 3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one?
The InChIKey is SVGREMDTLUSGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11-8-2-4-9(5-3-8)13-7-6-12-10(13)14/h6-9,11H,2-5H2,1H3,(H,12,14).
What are the key properties of 3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one?
3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylamino)cyclohexyl]-1H-imidazol-2-one is sourced from PubChem (CID 103124638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).