(8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide

C13H13BrN4 — CID 58467168

IUPAC(8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide
SMILESN#CNC1=NCC2(CCc3c(Br)cccc3C2)N1
InChIInChI=1S/C13H13BrN4/c14-11-3-1-2-9-6-13(5-4-10(9)11)7-16-12(18-13)17-8-15/h1-3H,4-7H2,(H2,16,17,18)
InChIKeyVLZGUSITCNAPGQ-UHFFFAOYSA-N
MW305.18 g/mol
LogP1.71
Rot. Bonds

About (8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide

(8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide (PubChem CID 58467168) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is (8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide.

Molecular Properties

Compound Name(8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide
PubChem CID58467168
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC Name(8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide
SMILESN#CNC1=NCC2(CCc3c(Br)cccc3C2)N1
InChIInChI=1S/C13H13BrN4/c14-11-3-1-2-9-6-13(5-4-10(9)11)7-16-12(18-13)17-8-15/h1-3H,4-7H2,(H2,16,17,18)
InChIKeyVLZGUSITCNAPGQ-UHFFFAOYSA-N
XLogP1.71
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide
CID 58466975
(5S)-8'-phenylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58466804
8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 76794778
8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-4H-1,3-oxazole]-2'-amine
CID 89458507
8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58467250
(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanetriol
CID 91335874
8'-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58467215
(2-amino-5-bromo-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 58466784
2'-amino-8-bromospiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-4'-one
CID 71263668
N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide
CID 58467128
4-bromospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433537
6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
CID 58467136

Frequently Asked Questions

What is the IUPAC name of (8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide?
The IUPAC name of (8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide (CID 58467168) is (8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide.
What is the SMILES notation for (8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide?
The canonical SMILES for (8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide is N#CNC1=NCC2(CCc3c(Br)cccc3C2)N1.
What is the InChIKey of (8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide?
The InChIKey is VLZGUSITCNAPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4/c14-11-3-1-2-9-6-13(5-4-10(9)11)7-16-12(18-13)17-8-15/h1-3H,4-7H2,(H2,16,17,18).
What are the key properties of (8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide?
(8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide has a molecular weight of 305.18 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide is sourced from PubChem (CID 58467168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).