N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine

C22H26N4O — CID 1364761

IUPACN-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc(-c2cn3c4ccccc4nc3n2CCNC(C)(C)C)cc1
InChIInChI=1S/C22H26N4O/c1-22(2,3)23-13-14-25-20(16-9-11-17(27-4)12-10-16)15-26-19-8-6-5-7-18(19)24-21(25)26/h5-12,15,23H,13-14H2,1-4H3
InChIKeyHYYSHRYLGUSOGW-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.35
Rot. Bonds5

About N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine

N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 1364761) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine
PubChem CID1364761
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc(-c2cn3c4ccccc4nc3n2CCNC(C)(C)C)cc1
InChIInChI=1S/C22H26N4O/c1-22(2,3)23-13-14-25-20(16-9-11-17(27-4)12-10-16)15-26-19-8-6-5-7-18(19)24-21(25)26/h5-12,15,23H,13-14H2,1-4H3
InChIKeyHYYSHRYLGUSOGW-UHFFFAOYSA-N
XLogP4.35
TPSA43.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-tert-butylimidazo[1,2-a]benzimidazol-3-yl)ethyl]-2-methylpropan-2-amine;dihydrochloride
CID 24838918
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-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine
CID 86303576
2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole
CID 86304031
N-(4-methoxyphenyl)-2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)acetamide
CID 50755549
N-[2-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]cyclohexanamine
CID 1121243
2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol
CID 3693132
2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
CID 3374476
diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
CID 6985044
3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole
CID 86304029
2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 7388172

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine (CID 1364761) is N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine is COc1ccc(-c2cn3c4ccccc4nc3n2CCNC(C)(C)C)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is HYYSHRYLGUSOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-22(2,3)23-13-14-25-20(16-9-11-17(27-4)12-10-16)15-26-19-8-6-5-7-18(19)24-21(25)26/h5-12,15,23H,13-14H2,1-4H3.
What are the key properties of N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 362.48 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 1364761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).