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

C15H24N2 — CID 71083150

IUPAC5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole
SMILESC[C@@]12CCCCC1=C[C@@H](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)/t12-,14?,15-/m0/s1
InChIKeyVXRLECOXWXOCKT-JDLVMGNASA-N
MW232.37 g/mol
LogP3.29
Rot. Bonds2

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

5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 71083150) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole
PubChem CID71083150
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole
SMILESC[C@@]12CCCCC1=C[C@@H](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)/t12-,14?,15-/m0/s1
InChIKeyVXRLECOXWXOCKT-JDLVMGNASA-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-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole (CID 71083150) is 5-[[(2R,4aS)-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-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole is C[C@@]12CCCCC1=C[C@@H](CC1CN=CN1)CC2.
What is the InChIKey of 5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is VXRLECOXWXOCKT-JDLVMGNASA-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)/t12-,14?,15-/m0/s1.
What are the key properties of 5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole?
5-[[(2R,4aS)-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-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 71083150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).