5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole

C15H24N2 — CID 71083178

IUPAC5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCC12CCCCC1=CC(CC1CN=CN1)CC2
InChIInChI=1S/C15H24N2/c1-15-6-3-2-4-13(15)8-12(5-7-15)9-14-10-16-11-17-14/h8,11-12,14H,2-7,9-10H2,1H3,(H,16,17)
InChIKeyVXRLECOXWXOCKT-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.29
Rot. Bonds2

About 5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole

5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 71083178) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID71083178
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCC12CCCCC1=CC(CC1CN=CN1)CC2
InChIInChI=1S/C15H24N2/c1-15-6-3-2-4-13(15)8-12(5-7-15)9-14-10-16-11-17-14/h8,11-12,14H,2-7,9-10H2,1H3,(H,16,17)
InChIKeyVXRLECOXWXOCKT-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole (CID 71083178) is 5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole is CC12CCCCC1=CC(CC1CN=CN1)CC2.
What is the InChIKey of 5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is VXRLECOXWXOCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15-6-3-2-4-13(15)8-12(5-7-15)9-14-10-16-11-17-14/h8,11-12,14H,2-7,9-10H2,1H3,(H,16,17).
What are the key properties of 5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole?
5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 232.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 71083178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).