2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole

C23H27N4+ — CID 7388172

IUPAC2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
SMILESCCc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCC2)cc1
InChIInChI=1S/C23H26N4/c1-2-18-9-11-19(12-10-18)22-17-27-21-8-4-3-7-20(21)24-23(27)26(22)16-15-25-13-5-6-14-25/h3-4,7-12,17H,2,5-6,13-16H2,1H3/p+1
InChIKeyMKNFGGSMWLHCFH-UHFFFAOYSA-O
MW359.50 g/mol
LogP3.20
Rot. Bonds5

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

2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole (PubChem CID 7388172) has the molecular formula C23H27N4+ and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
PubChem CID7388172
Molecular FormulaC23H27N4+
Molecular Weight359.50 g/mol
Exact Mass359.22
IUPAC Name2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
SMILESCCc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCC2)cc1
InChIInChI=1S/C23H26N4/c1-2-18-9-11-19(12-10-18)22-17-27-21-8-4-3-7-20(21)24-23(27)26(22)16-15-25-13-5-6-14-25/h3-4,7-12,17H,2,5-6,13-16H2,1H3/p+1
InChIKeyMKNFGGSMWLHCFH-UHFFFAOYSA-O
XLogP3.20
TPSA26.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-methoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 5052019
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
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
N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide
CID 5085536
N-[2-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]cyclohexanamine
CID 1121243
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole (CID 7388172) is 2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole is CCc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCC2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole?
The InChIKey is MKNFGGSMWLHCFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N4/c1-2-18-9-11-19(12-10-18)22-17-27-21-8-4-3-7-20(21)24-23(27)26(22)16-15-25-13-5-6-14-25/h3-4,7-12,17H,2,5-6,13-16H2,1H3/p+1.
What are the key properties of 2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole?
2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole has a molecular weight of 359.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 7388172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).