2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride

C20H31Cl2N5 — CID 52997418

IUPAC2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride
SMILESCN1CCN(CCn2c(C(C)(C)C)cn3c4ccccc4nc23)CC1.Cl.Cl
InChIInChI=1S/C20H29N5.2ClH/c1-20(2,3)18-15-25-17-8-6-5-7-16(17)21-19(25)24(18)14-13-23-11-9-22(4)10-12-23;;/h5-8,15H,9-14H2,1-4H3;2*1H
InChIKeyCGQZAOMJGJOHIL-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.68
Rot. Bonds3

About 2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride

2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride (PubChem CID 52997418) has the molecular formula C20H31Cl2N5 and a molecular weight of 412.41 g/mol. Its IUPAC name is 2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride.

Molecular Properties

Compound Name2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride
PubChem CID52997418
Molecular FormulaC20H31Cl2N5
Molecular Weight412.41 g/mol
Exact Mass411.20
IUPAC Name2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride
SMILESCN1CCN(CCn2c(C(C)(C)C)cn3c4ccccc4nc23)CC1.Cl.Cl
InChIInChI=1S/C20H29N5.2ClH/c1-20(2,3)18-15-25-17-8-6-5-7-16(17)21-19(25)24(18)14-13-23-11-9-22(4)10-12-23;;/h5-8,15H,9-14H2,1-4H3;2*1H
InChIKeyCGQZAOMJGJOHIL-UHFFFAOYSA-N
XLogP3.68
TPSA28.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)ethyl]-2-methylpropan-2-amine;dihydrochloride
CID 24838918
3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-propan-2-ylazanium
CID 7390394
3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium
CID 7030849
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;hydrochloride
CID 146051190
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
CID 2851496
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 126476325
3-(2-piperidin-1-ylethyl)-2-thiophen-2-ylimidazo[1,2-a]benzimidazole
CID 3265105
1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 18885452
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol
CID 5116850
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride?
The IUPAC name of 2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride (CID 52997418) is 2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride.
What is the SMILES notation for 2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride?
The canonical SMILES for 2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride is CN1CCN(CCn2c(C(C)(C)C)cn3c4ccccc4nc23)CC1.Cl.Cl.
What is the InChIKey of 2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride?
The InChIKey is CGQZAOMJGJOHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5.2ClH/c1-20(2,3)18-15-25-17-8-6-5-7-16(17)21-19(25)24(18)14-13-23-11-9-22(4)10-12-23;;/h5-8,15H,9-14H2,1-4H3;2*1H.
What are the key properties of 2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride?
2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride has a molecular weight of 412.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]benzimidazole;dihydrochloride is sourced from PubChem (CID 52997418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).