2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine

C12H13ClN4 — CID 84633298

IUPAC2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
SMILESCn1c(CCN)cn2c3cccc(Cl)c3nc12
InChIInChI=1S/C12H13ClN4/c1-16-8(5-6-14)7-17-10-4-2-3-9(13)11(10)15-12(16)17/h2-4,7H,5-6,14H2,1H3
InChIKeyOQETZFWPJPGXNL-UHFFFAOYSA-N
MW248.72 g/mol
LogP1.98
Rot. Bonds2

About 2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine

2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine (PubChem CID 84633298) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
PubChem CID84633298
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
SMILESCn1c(CCN)cn2c3cccc(Cl)c3nc12
InChIInChI=1S/C12H13ClN4/c1-16-8(5-6-14)7-17-10-4-2-3-9(13)11(10)15-12(16)17/h2-4,7H,5-6,14H2,1H3
InChIKeyOQETZFWPJPGXNL-UHFFFAOYSA-N
XLogP1.98
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84639038
N'-(4-chloro-1-methylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine
CID 83842833
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217
3-(7-chloroindazol-2-yl)propan-1-amine
CID 84723006
(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
2-(8-chloro-4-methylquinolin-2-yl)ethanamine
CID 82575547
4-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 104837444
ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate
CID 68788329
[2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine
CID 104721561

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine (CID 84633298) is 2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine is Cn1c(CCN)cn2c3cccc(Cl)c3nc12.
What is the InChIKey of 2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The InChIKey is OQETZFWPJPGXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-16-8(5-6-14)7-17-10-4-2-3-9(13)11(10)15-12(16)17/h2-4,7H,5-6,14H2,1H3.
What are the key properties of 2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine has a molecular weight of 248.72 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 84633298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).