2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium

C23H26ClN4+ — CID 7335047

IUPAC2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium
SMILESClc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C2CCCCC2)cc1
InChIInChI=1S/C23H25ClN4/c24-18-12-10-17(11-13-18)22-16-28-21-9-5-4-8-20(21)26-23(28)27(22)15-14-25-19-6-2-1-3-7-19/h4-5,8-13,16,19,25H,1-3,6-7,14-15H2/p+1
InChIKeyVCQRQDWOGFCJGK-UHFFFAOYSA-O
MW393.94 g/mol
LogP4.51
Rot. Bonds5

About 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium

2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium (PubChem CID 7335047) has the molecular formula C23H26ClN4+ and a molecular weight of 393.94 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium
PubChem CID7335047
Molecular FormulaC23H26ClN4+
Molecular Weight393.94 g/mol
Exact Mass393.18
IUPAC Name2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium
SMILESClc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C2CCCCC2)cc1
InChIInChI=1S/C23H25ClN4/c24-18-12-10-17(11-13-18)22-16-28-21-9-5-4-8-20(21)26-23(28)27(22)15-14-25-19-6-2-1-3-7-19/h4-5,8-13,16,19,25H,1-3,6-7,14-15H2/p+1
InChIKeyVCQRQDWOGFCJGK-UHFFFAOYSA-O
XLogP4.51
TPSA38.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]cyclohexanamine;dihydrochloride
CID 2868552
2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
CID 3374476
3-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)propyl-cyclohexylazanium
CID 7030849
N-[2-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]cyclohexanamine
CID 1121243
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide
CID 102594426
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-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
CID 1068607
2-(4-ethylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 4106183
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 7388172
3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol
CID 5116850

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium?
The IUPAC name of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium (CID 7335047) is 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium?
The canonical SMILES for 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium is Clc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C2CCCCC2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium?
The InChIKey is VCQRQDWOGFCJGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25ClN4/c24-18-12-10-17(11-13-18)22-16-28-21-9-5-4-8-20(21)26-23(28)27(22)15-14-25-19-6-2-1-3-7-19/h4-5,8-13,16,19,25H,1-3,6-7,14-15H2/p+1.
What are the key properties of 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium?
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium has a molecular weight of 393.94 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl-cyclohexylazanium is sourced from PubChem (CID 7335047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).