1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine

C16H21ClN4 — CID 79499185

IUPAC1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCN1C2CCC1CC1(CN=C(N)N1c1cccc(Cl)c1)C2
InChIInChI=1S/C16H21ClN4/c1-20-13-5-6-14(20)9-16(8-13)10-19-15(18)21(16)12-4-2-3-11(17)7-12/h2-4,7,13-14H,5-6,8-10H2,1H3,(H2,18,19)
InChIKeyHYSYXNWUINVDLS-UHFFFAOYSA-N
MW304.82 g/mol
LogP2.47
Rot. Bonds1

About 1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine

1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (PubChem CID 79499185) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
PubChem CID79499185
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
SMILESCN1C2CCC1CC1(CN=C(N)N1c1cccc(Cl)c1)C2
InChIInChI=1S/C16H21ClN4/c1-20-13-5-6-14(20)9-16(8-13)10-19-15(18)21(16)12-4-2-3-11(17)7-12/h2-4,7,13-14H,5-6,8-10H2,1H3,(H2,18,19)
InChIKeyHYSYXNWUINVDLS-UHFFFAOYSA-N
XLogP2.47
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine with MolForge

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Related Compounds

1-(3-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504905
1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504985
1-(3-chlorophenyl)-6-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505132
1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine
CID 79504906
1-(3-chlorophenyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505809
1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
CID 79499811
5-(4-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565712
1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
CID 79505501
5-(2-chlorophenyl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79499638
1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504679
1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514411
5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
CID 104654168

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine (CID 79499185) is 1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is CN1C2CCC1CC1(CN=C(N)N1c1cccc(Cl)c1)C2.
What is the InChIKey of 1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
The InChIKey is HYSYXNWUINVDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-20-13-5-6-14(20)9-16(8-13)10-19-15(18)21(16)12-4-2-3-11(17)7-12/h2-4,7,13-14H,5-6,8-10H2,1H3,(H2,18,19).
What are the key properties of 1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine?
1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine has a molecular weight of 304.82 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine is sourced from PubChem (CID 79499185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).