6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine

C15H16BrN3 — CID 57386666

IUPAC—
SMILESCC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC1
InChIInChI=1S/C15H16BrN3/c1-9-13(17)19-15(18-9)12-7-11(16)4-3-10(12)8-14(15)5-2-6-14/h3-4,7H,2,5-6,8H2,1H3,(H2,17,19)
InChIKeyVPPGDUMXGIDOQT-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.16
Rot. Bonds

About 6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine

6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine (PubChem CID 57386666) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol.

Molecular Properties

Compound Name6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine
PubChem CID57386666
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name—
SMILESCC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC1
InChIInChI=1S/C15H16BrN3/c1-9-13(17)19-15(18-9)12-7-11(16)4-3-10(12)8-14(15)5-2-6-14/h3-4,7H,2,5-6,8H2,1H3,(H2,17,19)
InChIKeyVPPGDUMXGIDOQT-UHFFFAOYSA-N
XLogP3.16
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine?
The IUPAC name of 6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine (CID 57386666) is not available.
What is the SMILES notation for 6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine?
The canonical SMILES for 6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine is CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC1.
What is the InChIKey of 6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine?
The InChIKey is VPPGDUMXGIDOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-9-13(17)19-15(18-9)12-7-11(16)4-3-10(12)8-14(15)5-2-6-14/h3-4,7H,2,5-6,8H2,1H3,(H2,17,19).
What are the key properties of 6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine?
6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine has a molecular weight of 318.22 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-Bromo-5''-methyl-3'H-dispiro[cyclobutane-1,2'-indene-1',2''-imidazol]-4''-amine is sourced from PubChem (CID 57386666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).