2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole

C20H21N3O — CID 86304031

IUPAC2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole
SMILESCCc1ccc(-c2cn3c4ccccc4nc3n2CCOC)cc1
InChIInChI=1S/C20H21N3O/c1-3-15-8-10-16(11-9-15)19-14-23-18-7-5-4-6-17(18)21-20(23)22(19)12-13-24-2/h4-11,14H,3,12-13H2,1-2H3
InChIKeyBIOCICHUYFMKST-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.16
Rot. Bonds5

About 2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole

2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole (PubChem CID 86304031) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole
PubChem CID86304031
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole
SMILESCCc1ccc(-c2cn3c4ccccc4nc3n2CCOC)cc1
InChIInChI=1S/C20H21N3O/c1-3-15-8-10-16(11-9-15)19-14-23-18-7-5-4-6-17(18)21-20(23)22(19)12-13-24-2/h4-11,14H,3,12-13H2,1-2H3
InChIKeyBIOCICHUYFMKST-UHFFFAOYSA-N
XLogP4.16
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
CID 1068607
diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
CID 6985044
2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 126476325
2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 5052019
2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
CID 3374476
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
N-[2-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]cyclohexanamine
CID 1121243

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole (CID 86304031) is 2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole is CCc1ccc(-c2cn3c4ccccc4nc3n2CCOC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole?
The InChIKey is BIOCICHUYFMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-15-8-10-16(11-9-15)19-14-23-18-7-5-4-6-17(18)21-20(23)22(19)12-13-24-2/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole?
2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole has a molecular weight of 319.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 86304031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).