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

C23H27ClN4O — CID 126476325

IUPAC2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride
SMILESCOc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C23H26N4O.ClH/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;1H
InChIKeyFILOODXXSVAFBS-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.87
Rot. Bonds5

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

2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride (PubChem CID 126476325) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride
PubChem CID126476325
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC Name2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride
SMILESCOc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C23H26N4O.ClH/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;1H
InChIKeyFILOODXXSVAFBS-UHFFFAOYSA-N
XLogP4.87
TPSA34.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine
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2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole
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2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride
CID 2858997
N-[2-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]cyclohexanamine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride (CID 126476325) is 2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride is COc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCCCC2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride?
The InChIKey is FILOODXXSVAFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O.ClH/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;1H.
What are the key properties of 2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride?
2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 126476325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).