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

C18H19BrF3N3 — CID 67979367

IUPAC—
SMILESCC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H19BrF3N3/c1-10-15(23)25-17(24-10)14-8-13(19)3-2-11(14)9-16(17)6-4-12(5-7-16)18(20,21)22/h2-3,8,12H,4-7,9H2,1H3,(H2,23,25)
InChIKeyNTHHXIKGFGHHJO-UHFFFAOYSA-N
MW414.27 g/mol
LogP4.73
Rot. Bonds

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

6'-Bromo-5''-methyl-4-(trifluoromethyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine (PubChem CID 67979367) has the molecular formula C18H19BrF3N3 and a molecular weight of 414.27 g/mol.

Molecular Properties

Compound Name6'-Bromo-5''-methyl-4-(trifluoromethyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
PubChem CID67979367
Molecular FormulaC18H19BrF3N3
Molecular Weight414.27 g/mol
Exact Mass413.07
IUPAC Name—
SMILESCC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H19BrF3N3/c1-10-15(23)25-17(24-10)14-8-13(19)3-2-11(14)9-16(17)6-4-12(5-7-16)18(20,21)22/h2-3,8,12H,4-7,9H2,1H3,(H2,23,25)
InChIKeyNTHHXIKGFGHHJO-UHFFFAOYSA-N
XLogP4.73
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.27
LogP ≤ 54.73
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-4-(trifluoromethyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The IUPAC name of 6'-Bromo-5''-methyl-4-(trifluoromethyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine (CID 67979367) is not available.
What is the SMILES notation for 6'-Bromo-5''-methyl-4-(trifluoromethyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The canonical SMILES for 6'-Bromo-5''-methyl-4-(trifluoromethyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine is CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)(F)F)CC1.
What is the InChIKey of 6'-Bromo-5''-methyl-4-(trifluoromethyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The InChIKey is NTHHXIKGFGHHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF3N3/c1-10-15(23)25-17(24-10)14-8-13(19)3-2-11(14)9-16(17)6-4-12(5-7-16)18(20,21)22/h2-3,8,12H,4-7,9H2,1H3,(H2,23,25).
What are the key properties of 6'-Bromo-5''-methyl-4-(trifluoromethyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
6'-Bromo-5''-methyl-4-(trifluoromethyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine has a molecular weight of 414.27 g/mol, XLogP of 4.73, 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-4-(trifluoromethyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine is sourced from PubChem (CID 67979367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).