5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole

C15H24N2 — CID 122575776

IUPAC5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole
SMILESCC1(c2cnc[nH]2)CCC2(CCCCC2)CC1
InChIInChI=1S/C15H24N2/c1-14(13-11-16-12-17-13)7-9-15(10-8-14)5-3-2-4-6-15/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyCGGUZPPKUGCGDA-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.19
Rot. Bonds1

About 5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole

5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole (PubChem CID 122575776) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole
PubChem CID122575776
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole
SMILESCC1(c2cnc[nH]2)CCC2(CCCCC2)CC1
InChIInChI=1S/C15H24N2/c1-14(13-11-16-12-17-13)7-9-15(10-8-14)5-3-2-4-6-15/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyCGGUZPPKUGCGDA-UHFFFAOYSA-N
XLogP4.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole?
The IUPAC name of 5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole (CID 122575776) is 5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole.
What is the SMILES notation for 5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole?
The canonical SMILES for 5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole is CC1(c2cnc[nH]2)CCC2(CCCCC2)CC1.
What is the InChIKey of 5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole?
The InChIKey is CGGUZPPKUGCGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(13-11-16-12-17-13)7-9-15(10-8-14)5-3-2-4-6-15/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole?
5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole has a molecular weight of 232.37 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylspiro[5.5]undecan-3-yl)-1H-imidazole is sourced from PubChem (CID 122575776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).