6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]

C12H13BrN2 — CID 58467136

IUPAC6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
SMILESBrc1ccc2c(c1)CC1(CC2)CN=CN1
InChIInChI=1S/C12H13BrN2/c13-11-2-1-9-3-4-12(6-10(9)5-11)7-14-8-15-12/h1-2,5,8H,3-4,6-7H2,(H,14,15)
InChIKeySYSYUNPVENTGPB-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.31
Rot. Bonds

About 6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]

6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 58467136) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Name6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
PubChem CID58467136
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
SMILESBrc1ccc2c(c1)CC1(CC2)CN=CN1
InChIInChI=1S/C12H13BrN2/c13-11-2-1-9-3-4-12(6-10(9)5-11)7-14-8-15-12/h1-2,5,8H,3-4,6-7H2,(H,14,15)
InChIKeySYSYUNPVENTGPB-UHFFFAOYSA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of 6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] (CID 58467136) is 6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for 6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for 6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] is Brc1ccc2c(c1)CC1(CC2)CN=CN1.
What is the InChIKey of 6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is SYSYUNPVENTGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-11-2-1-9-3-4-12(6-10(9)5-11)7-14-8-15-12/h1-2,5,8H,3-4,6-7H2,(H,14,15).
What are the key properties of 6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]?
6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 265.15 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 58467136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).