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

C18H20BrF2N3 — CID 67979577

IUPAC—
SMILESCC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)F)CC1
InChIInChI=1S/C18H20BrF2N3/c1-10-16(22)24-18(23-10)14-8-13(19)3-2-12(14)9-17(18)6-4-11(5-7-17)15(20)21/h2-3,8,11,15H,4-7,9H2,1H3,(H2,22,24)
InChIKeySEMLTECGFLAMPC-UHFFFAOYSA-N
MW396.28 g/mol
LogP4.43
Rot. Bonds1

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

6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine (PubChem CID 67979577) has the molecular formula C18H20BrF2N3 and a molecular weight of 396.28 g/mol.

Molecular Properties

Compound Name6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
PubChem CID67979577
Molecular FormulaC18H20BrF2N3
Molecular Weight396.28 g/mol
Exact Mass395.08
IUPAC Name—
SMILESCC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)F)CC1
InChIInChI=1S/C18H20BrF2N3/c1-10-16(22)24-18(23-10)14-8-13(19)3-2-12(14)9-17(18)6-4-11(5-7-17)15(20)21/h2-3,8,11,15H,4-7,9H2,1H3,(H2,22,24)
InChIKeySEMLTECGFLAMPC-UHFFFAOYSA-N
XLogP4.43
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The IUPAC name of 6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine (CID 67979577) is not available.
What is the SMILES notation for 6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The canonical SMILES for 6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine is CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)F)CC1.
What is the InChIKey of 6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
The InChIKey is SEMLTECGFLAMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrF2N3/c1-10-16(22)24-18(23-10)14-8-13(19)3-2-12(14)9-17(18)6-4-11(5-7-17)15(20)21/h2-3,8,11,15H,4-7,9H2,1H3,(H2,22,24).
What are the key properties of 6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine?
6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine has a molecular weight of 396.28 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-Bromo-4-(difluoromethyl)-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine is sourced from PubChem (CID 67979577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).