cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone

C12H18N2O — CID 11830595

IUPACcyclohexyl-(1,2-dimethylimidazol-4-yl)methanone
SMILESCc1nc(C(=O)C2CCCCC2)cn1C
InChIInChI=1S/C12H18N2O/c1-9-13-11(8-14(9)2)12(15)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyXBFLWVUEVCKPPK-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.49
Rot. Bonds2

About cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone

cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone (PubChem CID 11830595) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(1,2-dimethylimidazol-4-yl)methanone
PubChem CID11830595
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Namecyclohexyl-(1,2-dimethylimidazol-4-yl)methanone
SMILESCc1nc(C(=O)C2CCCCC2)cn1C
InChIInChI=1S/C12H18N2O/c1-9-13-11(8-14(9)2)12(15)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyXBFLWVUEVCKPPK-UHFFFAOYSA-N
XLogP2.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone?
The IUPAC name of cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone (CID 11830595) is cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone.
What is the SMILES notation for cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone?
The canonical SMILES for cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone is Cc1nc(C(=O)C2CCCCC2)cn1C.
What is the InChIKey of cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone?
The InChIKey is XBFLWVUEVCKPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-13-11(8-14(9)2)12(15)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone?
cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone has a molecular weight of 206.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1,2-dimethylimidazol-4-yl)methanone is sourced from PubChem (CID 11830595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).