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

C19H29N4+ — CID 7390394

IUPAC3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium
SMILESCC(C)[NH2+]CCCn1c(C(C)(C)C)cn2c3ccccc3nc12
InChIInChI=1S/C19H28N4/c1-14(2)20-11-8-12-22-17(19(3,4)5)13-23-16-10-7-6-9-15(16)21-18(22)23/h6-7,9-10,13-14,20H,8,11-12H2,1-5H3/p+1
InChIKeyMRDZYMXINCJIEB-UHFFFAOYSA-O
MW313.47 g/mol
LogP2.95
Rot. Bonds5

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

3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium (PubChem CID 7390394) has the molecular formula C19H29N4+ and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium.

Molecular Properties

Compound Name3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium
PubChem CID7390394
Molecular FormulaC19H29N4+
Molecular Weight313.47 g/mol
Exact Mass313.24
IUPAC Name3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium
SMILESCC(C)[NH2+]CCCn1c(C(C)(C)C)cn2c3ccccc3nc12
InChIInChI=1S/C19H28N4/c1-14(2)20-11-8-12-22-17(19(3,4)5)13-23-16-10-7-6-9-15(16)21-18(22)23/h6-7,9-10,13-14,20H,8,11-12H2,1-5H3/p+1
InChIKeyMRDZYMXINCJIEB-UHFFFAOYSA-O
XLogP2.95
TPSA38.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.95
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-cyclohexylazanium
CID 7030849
N-[2-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)ethyl]-2-methylpropan-2-amine;dihydrochloride
CID 24838918
2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride
CID 52997418
3-(2-methylimidazo[1,2-a]benzimidazol-3-yl)propan-1-ol
CID 6624969
4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine
CID 82144558
2-tert-butyl-1-pentylbenzimidazole
CID 17000368
2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
CID 3374476
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl-propan-2-ylazanium
CID 3636384
N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine
CID 1364761
diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
CID 6985044
3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311877
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium?
The IUPAC name of 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium (CID 7390394) is 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium.
What is the SMILES notation for 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium?
The canonical SMILES for 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium is CC(C)[NH2+]CCCn1c(C(C)(C)C)cn2c3ccccc3nc12.
What is the InChIKey of 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium?
The InChIKey is MRDZYMXINCJIEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N4/c1-14(2)20-11-8-12-22-17(19(3,4)5)13-23-16-10-7-6-9-15(16)21-18(22)23/h6-7,9-10,13-14,20H,8,11-12H2,1-5H3/p+1.
What are the key properties of 3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium?
3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium has a molecular weight of 313.47 g/mol, XLogP of 2.95, 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-propan-2-ylazanium is sourced from PubChem (CID 7390394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).