3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium

C22H33N4+ — CID 7030849

IUPAC3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium
SMILESCC(C)(C)c1cn2c3ccccc3nc2n1CCC[NH2+]C1CCCCC1
InChIInChI=1S/C22H32N4/c1-22(2,3)20-16-26-19-13-8-7-12-18(19)24-21(26)25(20)15-9-14-23-17-10-5-4-6-11-17/h7-8,12-13,16-17,23H,4-6,9-11,14-15H2,1-3H3/p+1
InChIKeyJOLKDLHFKMOEOG-UHFFFAOYSA-O
MW353.53 g/mol
LogP3.87
Rot. Bonds5

About 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium

3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium (PubChem CID 7030849) has the molecular formula C22H33N4+ and a molecular weight of 353.53 g/mol. Its IUPAC name is 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium.

Molecular Properties

Compound Name3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium
PubChem CID7030849
Molecular FormulaC22H33N4+
Molecular Weight353.53 g/mol
Exact Mass353.27
IUPAC Name3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium
SMILESCC(C)(C)c1cn2c3ccccc3nc2n1CCC[NH2+]C1CCCCC1
InChIInChI=1S/C22H32N4/c1-22(2,3)20-16-26-19-13-8-7-12-18(19)24-21(26)25(20)15-9-14-23-17-10-5-4-6-11-17/h7-8,12-13,16-17,23H,4-6,9-11,14-15H2,1-3H3/p+1
InChIKeyJOLKDLHFKMOEOG-UHFFFAOYSA-O
XLogP3.87
TPSA38.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium
CID 7390394
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium
CID 7335047
2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride
CID 52997418
N-[2-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)ethyl]-2-methylpropan-2-amine;dihydrochloride
CID 24838918
3-(2-methylimidazo[1,2-a]benzimidazol-3-yl)propan-1-ol
CID 6624969
N-[2-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]cyclohexanamine
CID 1121243
N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride
CID 2868552
2-tert-butyl-1-pentylbenzimidazole
CID 17000368
4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine
CID 82144558
2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 5052019
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665
3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol
CID 82311802

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium?
The IUPAC name of 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium (CID 7030849) is 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium.
What is the SMILES notation for 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium?
The canonical SMILES for 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium is CC(C)(C)c1cn2c3ccccc3nc2n1CCC[NH2+]C1CCCCC1.
What is the InChIKey of 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium?
The InChIKey is JOLKDLHFKMOEOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H32N4/c1-22(2,3)20-16-26-19-13-8-7-12-18(19)24-21(26)25(20)15-9-14-23-17-10-5-4-6-11-17/h7-8,12-13,16-17,23H,4-6,9-11,14-15H2,1-3H3/p+1.
What are the key properties of 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium?
3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium has a molecular weight of 353.53 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium is sourced from PubChem (CID 7030849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).