3-(cyclohexylmethyl)-1,2-dihydroimidazole

C10H18N2 — CID 174930729

IUPAC3-(cyclohexylmethyl)-1,2-dihydroimidazole
SMILESC1=CN(CC2CCCCC2)CN1
InChIInChI=1S/C10H18N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h6-7,10-11H,1-5,8-9H2
InChIKeyAQZAHFIWVGODKG-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.90
Rot. Bonds2

About 3-(cyclohexylmethyl)-1,2-dihydroimidazole

3-(cyclohexylmethyl)-1,2-dihydroimidazole (PubChem CID 174930729) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-1,2-dihydroimidazole
PubChem CID174930729
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-(cyclohexylmethyl)-1,2-dihydroimidazole
SMILESC1=CN(CC2CCCCC2)CN1
InChIInChI=1S/C10H18N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h6-7,10-11H,1-5,8-9H2
InChIKeyAQZAHFIWVGODKG-UHFFFAOYSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-1,2-dihydroimidazole?
The IUPAC name of 3-(cyclohexylmethyl)-1,2-dihydroimidazole (CID 174930729) is 3-(cyclohexylmethyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-(cyclohexylmethyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-(cyclohexylmethyl)-1,2-dihydroimidazole is C1=CN(CC2CCCCC2)CN1.
What is the InChIKey of 3-(cyclohexylmethyl)-1,2-dihydroimidazole?
The InChIKey is AQZAHFIWVGODKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h6-7,10-11H,1-5,8-9H2.
What are the key properties of 3-(cyclohexylmethyl)-1,2-dihydroimidazole?
3-(cyclohexylmethyl)-1,2-dihydroimidazole has a molecular weight of 166.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-1,2-dihydroimidazole is sourced from PubChem (CID 174930729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).