2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine

C20H22N4 — CID 86303576

IUPAC2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine
SMILESCCc1ccc(-c2cn3c4ccccc4nc3n2CCNC)cc1
InChIInChI=1S/C20H22N4/c1-3-15-8-10-16(11-9-15)19-14-24-18-7-5-4-6-17(18)22-20(24)23(19)13-12-21-2/h4-11,14,21H,3,12-13H2,1-2H3
InChIKeyYZKKCNSADKPLNC-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.74
Rot. Bonds5

About 2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine

2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine (PubChem CID 86303576) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine
PubChem CID86303576
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine
SMILESCCc1ccc(-c2cn3c4ccccc4nc3n2CCNC)cc1
InChIInChI=1S/C20H22N4/c1-3-15-8-10-16(11-9-15)19-14-24-18-7-5-4-6-17(18)22-20(24)23(19)13-12-21-2/h4-11,14,21H,3,12-13H2,1-2H3
InChIKeyYZKKCNSADKPLNC-UHFFFAOYSA-N
XLogP3.74
TPSA34.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole
CID 86304031
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
2-(4-ethylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 4106183
N-[2-[2-(4-methoxyphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]-2-methylpropan-2-amine
CID 1364761
N-[2-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]ethyl]cyclohexanamine
CID 1121243
2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
CID 1068607
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
CID 6985044
2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
CID 3374476
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine (CID 86303576) is 2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine is CCc1ccc(-c2cn3c4ccccc4nc3n2CCNC)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine?
The InChIKey is YZKKCNSADKPLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-15-8-10-16(11-9-15)19-14-24-18-7-5-4-6-17(18)22-20(24)23(19)13-12-21-2/h4-11,14,21H,3,12-13H2,1-2H3.
What are the key properties of 2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine?
2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine has a molecular weight of 318.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 86303576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).