6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine

C13H14BrN3 — CID 57386415

IUPAC6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine
SMILESCC1=NC2(CCCc3ccc(Br)cc32)N=C1N
InChIInChI=1S/C13H14BrN3/c1-8-12(15)17-13(16-8)6-2-3-9-4-5-10(14)7-11(9)13/h4-5,7H,2-3,6H2,1H3,(H2,15,17)
InChIKeyQNHHDQXBRHSEHK-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.77
Rot. Bonds

About 6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine

6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine (PubChem CID 57386415) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine.

Molecular Properties

Compound Name6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine
PubChem CID57386415
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine
SMILESCC1=NC2(CCCc3ccc(Br)cc32)N=C1N
InChIInChI=1S/C13H14BrN3/c1-8-12(15)17-13(16-8)6-2-3-9-4-5-10(14)7-11(9)13/h4-5,7H,2-3,6H2,1H3,(H2,15,17)
InChIKeyQNHHDQXBRHSEHK-UHFFFAOYSA-N
XLogP2.77
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
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'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine?
The IUPAC name of 6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine (CID 57386415) is 6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine.
What is the SMILES notation for 6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine?
The canonical SMILES for 6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine is CC1=NC2(CCCc3ccc(Br)cc32)N=C1N.
What is the InChIKey of 6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine?
The InChIKey is QNHHDQXBRHSEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-8-12(15)17-13(16-8)6-2-3-9-4-5-10(14)7-11(9)13/h4-5,7H,2-3,6H2,1H3,(H2,15,17).
What are the key properties of 6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine?
6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine has a molecular weight of 292.18 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'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine is sourced from PubChem (CID 57386415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).