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

C17H18BrF2N3 — CID 57385883

IUPAC—
SMILESCC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1
InChIInChI=1S/C17H18BrF2N3/c1-10-14(21)23-17(22-10)13-8-12(18)3-2-11(13)9-15(17)4-6-16(19,20)7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,21,23)
InChIKeySXMJPJIGFLAOJZ-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.19
Rot. Bonds

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

6'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine (PubChem CID 57385883) has the molecular formula C17H18BrF2N3 and a molecular weight of 382.25 g/mol.

Molecular Properties

Compound Name6'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
PubChem CID57385883
Molecular FormulaC17H18BrF2N3
Molecular Weight382.25 g/mol
Exact Mass381.07
IUPAC Name—
SMILESCC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1
InChIInChI=1S/C17H18BrF2N3/c1-10-14(21)23-17(22-10)13-8-12(18)3-2-11(13)9-15(17)4-6-16(19,20)7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,21,23)
InChIKeySXMJPJIGFLAOJZ-UHFFFAOYSA-N
XLogP4.19
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The IUPAC name of 6'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine (CID 57385883) is not available.
What is the SMILES notation for 6'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The canonical SMILES for 6'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine is CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1.
What is the InChIKey of 6'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The InChIKey is SXMJPJIGFLAOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N3/c1-10-14(21)23-17(22-10)13-8-12(18)3-2-11(13)9-15(17)4-6-16(19,20)7-5-15/h2-3,8H,4-7,9H2,1H3,(H2,21,23).
What are the key properties of 6'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
6'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine has a molecular weight of 382.25 g/mol, XLogP of 4.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine is sourced from PubChem (CID 57385883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).