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

C23H26N4O — CID 1291433

IUPAC2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole
SMILESCOc1ccc(-c2cn3c4ccccc4n(CCN4CCCCC4)c3n2)cc1
InChIInChI=1S/C23H26N4O/c1-28-19-11-9-18(10-12-19)20-17-27-22-8-4-3-7-21(22)26(23(27)24-20)16-15-25-13-5-2-6-14-25/h3-4,7-12,17H,2,5-6,13-16H2,1H3
InChIKeyBNSPARFXXMWQKK-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.45
Rot. Bonds5

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

2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole (PubChem CID 1291433) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole
PubChem CID1291433
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole
SMILESCOc1ccc(-c2cn3c4ccccc4n(CCN4CCCCC4)c3n2)cc1
InChIInChI=1S/C23H26N4O/c1-28-19-11-9-18(10-12-19)20-17-27-22-8-4-3-7-21(22)26(23(27)24-20)16-15-25-13-5-2-6-14-25/h3-4,7-12,17H,2,5-6,13-16H2,1H3
InChIKeyBNSPARFXXMWQKK-UHFFFAOYSA-N
XLogP4.45
TPSA34.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride
CID 2858997
2-(4-methoxyphenyl)-3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 126476325
2-phenyl-4-propylimidazo[1,2-a]benzimidazole
CID 799630
2-methyl-4-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]benzimidazole;dihydrochloride
CID 2866034
2-(1-adamantyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrobromide
CID 163342582
4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 52994899
2-(1-adamantyl)-4-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 56683980
4-[2-[2-(5-bromothiophen-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethyl]morpholine
CID 19040854
diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium
CID 7358652
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
CID 1097858
4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol
CID 878680
2-(4-nitrophenyl)-4-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 6960751

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole (CID 1291433) is 2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole is COc1ccc(-c2cn3c4ccccc4n(CCN4CCCCC4)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
The InChIKey is BNSPARFXXMWQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-28-19-11-9-18(10-12-19)20-17-27-22-8-4-3-7-21(22)26(23(27)24-20)16-15-25-13-5-2-6-14-25/h3-4,7-12,17H,2,5-6,13-16H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole?
2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole has a molecular weight of 374.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 1291433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).