diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium

C23H29N4+ — CID 6985044

IUPACdiethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
SMILESCC[NH+](CC)CCCn1c(-c2ccc(C)cc2)cn2c3ccccc3nc12
InChIInChI=1S/C23H28N4/c1-4-25(5-2)15-8-16-26-22(19-13-11-18(3)12-14-19)17-27-21-10-7-6-9-20(21)24-23(26)27/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3/p+1
InChIKeyJYLGNMMJGZFICR-UHFFFAOYSA-O
MW361.51 g/mol
LogP3.58
Rot. Bonds7

About diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium

diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium (PubChem CID 6985044) has the molecular formula C23H29N4+ and a molecular weight of 361.51 g/mol. Its IUPAC name is diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium.

Molecular Properties

Compound Namediethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
PubChem CID6985044
Molecular FormulaC23H29N4+
Molecular Weight361.51 g/mol
Exact Mass361.24
IUPAC Namediethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
SMILESCC[NH+](CC)CCCn1c(-c2ccc(C)cc2)cn2c3ccccc3nc12
InChIInChI=1S/C23H28N4/c1-4-25(5-2)15-8-16-26-22(19-13-11-18(3)12-14-19)17-27-21-10-7-6-9-20(21)24-23(26)27/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3/p+1
InChIKeyJYLGNMMJGZFICR-UHFFFAOYSA-O
XLogP3.58
TPSA26.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
CID 3374476
2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
CID 1068607
N-[2-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]cyclohexanamine
CID 1121243
2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole
CID 86304031
2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine
CID 86303576
3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole
CID 86304029
3-(2-methylimidazo[1,2-a]benzimidazol-3-yl)propan-1-ol
CID 6624969
diethyl-[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]azanium
CID 3610351
2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 7388172
2-(4-ethylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 4106183
N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine
CID 1364761
2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 126476325

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium?
The IUPAC name of diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium (CID 6985044) is diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium.
What is the SMILES notation for diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium?
The canonical SMILES for diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium is CC[NH+](CC)CCCn1c(-c2ccc(C)cc2)cn2c3ccccc3nc12.
What is the InChIKey of diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium?
The InChIKey is JYLGNMMJGZFICR-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N4/c1-4-25(5-2)15-8-16-26-22(19-13-11-18(3)12-14-19)17-27-21-10-7-6-9-20(21)24-23(26)27/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3/p+1.
What are the key properties of diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium?
diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium has a molecular weight of 361.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium is sourced from PubChem (CID 6985044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).