2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole

C23H27N4O+ — CID 5052019

IUPAC2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
SMILESCOc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCCC2)cc1
InChIInChI=1S/C23H26N4O/c1-28-19-11-9-18(10-12-19)22-17-27-21-8-4-3-7-20(21)24-23(27)26(22)16-15-25-13-5-2-6-14-25/h3-4,7-12,17H,2,5-6,13-16H2,1H3/p+1
InChIKeyVBXFOMRPUAWCHA-UHFFFAOYSA-O
MW375.50 g/mol
LogP3.03
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole

2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole (PubChem CID 5052019) has the molecular formula C23H27N4O+ and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
PubChem CID5052019
Molecular FormulaC23H27N4O+
Molecular Weight375.50 g/mol
Exact Mass375.22
IUPAC Name2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
SMILESCOc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCCC2)cc1
InChIInChI=1S/C23H26N4O/c1-28-19-11-9-18(10-12-19)22-17-27-21-8-4-3-7-20(21)24-23(27)26(22)16-15-25-13-5-2-6-14-25/h3-4,7-12,17H,2,5-6,13-16H2,1H3/p+1
InChIKeyVBXFOMRPUAWCHA-UHFFFAOYSA-O
XLogP3.03
TPSA35.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 4106183
2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 7388172
2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 126476325
N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine
CID 1364761
1-(4-methoxyphenyl)-N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]methanimine
CID 5170986
2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole
CID 86304031
N-[2-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]cyclohexanamine
CID 1121243
2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine
CID 86303576
N-(4-methoxyphenyl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide
CID 50755549
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium
CID 7335047
2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol
CID 3693132
N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide
CID 5085536

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole (CID 5052019) is 2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole is COc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole?
The InChIKey is VBXFOMRPUAWCHA-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N4O/c1-28-19-11-9-18(10-12-19)22-17-27-21-8-4-3-7-20(21)24-23(27)26(22)16-15-25-13-5-2-6-14-25/h3-4,7-12,17H,2,5-6,13-16H2,1H3/p+1.
What are the key properties of 2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole?
2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole has a molecular weight of 375.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 5052019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).