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

C14H14BrN3 — CID 57387170

IUPAC—
SMILESCC1=NC2(N=C1N)c1cc(Br)ccc1CC21CC1
InChIInChI=1S/C14H14BrN3/c1-8-12(16)18-14(17-8)11-6-10(15)3-2-9(11)7-13(14)4-5-13/h2-3,6H,4-5,7H2,1H3,(H2,16,18)
InChIKeyDFCZJGXXKNWQJL-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.77
Rot. Bonds

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

6'-Bromo-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine (PubChem CID 57387170) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol.

Molecular Properties

Compound Name6'-Bromo-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine
PubChem CID57387170
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name—
SMILESCC1=NC2(N=C1N)c1cc(Br)ccc1CC21CC1
InChIInChI=1S/C14H14BrN3/c1-8-12(16)18-14(17-8)11-6-10(15)3-2-9(11)7-13(14)4-5-13/h2-3,6H,4-5,7H2,1H3,(H2,16,18)
InChIKeyDFCZJGXXKNWQJL-UHFFFAOYSA-N
XLogP2.77
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 52.77
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[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine?
The IUPAC name of 6'-Bromo-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine (CID 57387170) is not available.
What is the SMILES notation for 6'-Bromo-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine?
The canonical SMILES for 6'-Bromo-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine is CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CC1.
What is the InChIKey of 6'-Bromo-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine?
The InChIKey is DFCZJGXXKNWQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c1-8-12(16)18-14(17-8)11-6-10(15)3-2-9(11)7-13(14)4-5-13/h2-3,6H,4-5,7H2,1H3,(H2,16,18).
What are the key properties of 6'-Bromo-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine?
6'-Bromo-5''-methyl-3'H-dispiro[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine has a molecular weight of 304.19 g/mol, XLogP of 2.77, 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[cyclopropane-1,2'-indene-1',2''-imidazol]-4''-amine is sourced from PubChem (CID 57387170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).