6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine

C19H24BrN3O2 — CID 57386411

IUPAC6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
SMILESCC1=NC2(CC(C3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N
InChIInChI=1S/C19H24BrN3O2/c1-11-17(21)23-19(22-11)10-16(12-6-7-24-18(2,3)9-12)25-15-5-4-13(20)8-14(15)19/h4-5,8,12,16H,6-7,9-10H2,1-3H3,(H2,21,23)
InChIKeyIBGZXUPONLUVLS-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.79
Rot. Bonds1

About 6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine

6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine (PubChem CID 57386411) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is 6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine.

Molecular Properties

Compound Name6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
PubChem CID57386411
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
SMILESCC1=NC2(CC(C3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N
InChIInChI=1S/C19H24BrN3O2/c1-11-17(21)23-19(22-11)10-16(12-6-7-24-18(2,3)9-12)25-15-5-4-13(20)8-14(15)19/h4-5,8,12,16H,6-7,9-10H2,1-3H3,(H2,21,23)
InChIKeyIBGZXUPONLUVLS-UHFFFAOYSA-N
XLogP3.79
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine with MolForge

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Related Compounds

5'-Bromo-4-methoxy-5''-methyldispiro[cyclohexane-1,2'-[1]-benzofuran-3',2''-imidazol]-4''-amine
CID 67979552
US8865911, 47 Isomer 4
CID 57386155
US10231967, Example 47-Isomer-2
CID 145713767
CID 90025002
CID 90025002
US8975415, RP13a
CID 90056180
US10231967, Example 47-Isomer-6
CID 145713770
US10231967, Example 47-Isomer-8
CID 145713771
US9918985, Example 47 Isomer 8
CID 145866563
CID 58424456
CID 58424456
(5S)-2'-bromo-4'-fluoro-7'-methylspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
CID 58465886
(R)-6-bromo-5',5'-difluoro-2,2-dimethyl-5',6'-dihydrospiro[chroman-4,4'-[1,3]oxazin]-2'-amine
CID 71059649
6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine
CID 71059650

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The IUPAC name of 6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine (CID 57386411) is 6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine.
What is the SMILES notation for 6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The canonical SMILES for 6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine is CC1=NC2(CC(C3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N.
What is the InChIKey of 6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The InChIKey is IBGZXUPONLUVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c1-11-17(21)23-19(22-11)10-16(12-6-7-24-18(2,3)9-12)25-15-5-4-13(20)8-14(15)19/h4-5,8,12,16H,6-7,9-10H2,1-3H3,(H2,21,23).
What are the key properties of 6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine has a molecular weight of 406.32 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,2-dimethyloxan-4-yl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine is sourced from PubChem (CID 57386411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).