5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine

C22H36N6 — CID 91264361

IUPAC5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine
SMILESC/N=N/C(CCCCCc1cnc(N)[nH]1)CNCC(C)C(C)c1ccccc1
InChIInChI=1S/C22H36N6/c1-17(18(2)19-10-6-4-7-11-19)14-25-15-21(28-24-3)13-9-5-8-12-20-16-26-22(23)27-20/h4,6-7,10-11,16-18,21,25H,5,8-9,12-15H2,1-3H3,(H3,23,26,27)/b28-24+
InChIKeyNGHLBALFFWGDJP-ZZIIXHQDSA-N
MW384.57 g/mol
LogP4.57
Rot. Bonds13

About 5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine

5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine (PubChem CID 91264361) has the molecular formula C22H36N6 and a molecular weight of 384.57 g/mol. Its IUPAC name is 5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine
PubChem CID91264361
Molecular FormulaC22H36N6
Molecular Weight384.57 g/mol
Exact Mass384.30
IUPAC Name5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine
SMILESC/N=N/C(CCCCCc1cnc(N)[nH]1)CNCC(C)C(C)c1ccccc1
InChIInChI=1S/C22H36N6/c1-17(18(2)19-10-6-4-7-11-19)14-25-15-21(28-24-3)13-9-5-8-12-20-16-26-22(23)27-20/h4,6-7,10-11,16-18,21,25H,5,8-9,12-15H2,1-3H3,(H3,23,26,27)/b28-24+
InChIKeyNGHLBALFFWGDJP-ZZIIXHQDSA-N
XLogP4.57
TPSA91.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine (CID 91264361) is 5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine is C/N=N/C(CCCCCc1cnc(N)[nH]1)CNCC(C)C(C)c1ccccc1.
What is the InChIKey of 5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine?
The InChIKey is NGHLBALFFWGDJP-ZZIIXHQDSA-N. The full InChI is InChI=1S/C22H36N6/c1-17(18(2)19-10-6-4-7-11-19)14-25-15-21(28-24-3)13-9-5-8-12-20-16-26-22(23)27-20/h4,6-7,10-11,16-18,21,25H,5,8-9,12-15H2,1-3H3,(H3,23,26,27)/b28-24+.
What are the key properties of 5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine?
5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine has a molecular weight of 384.57 g/mol, XLogP of 4.57, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(methyldiazenyl)-7-[(2-methyl-3-phenylbutyl)amino]heptyl]-1H-imidazol-2-amine is sourced from PubChem (CID 91264361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).