2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine

C13H15ClN4 — CID 84639038

IUPAC2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
SMILESCc1cc(Cl)cc2c1nc1n(C)c(CCN)cn21
InChIInChI=1S/C13H15ClN4/c1-8-5-9(14)6-11-12(8)16-13-17(2)10(3-4-15)7-18(11)13/h5-7H,3-4,15H2,1-2H3
InChIKeyROQSPVPLAGKZPA-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.29
Rot. Bonds2

About 2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine

2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine (PubChem CID 84639038) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
PubChem CID84639038
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
SMILESCc1cc(Cl)cc2c1nc1n(C)c(CCN)cn21
InChIInChI=1S/C13H15ClN4/c1-8-5-9(14)6-11-12(8)16-13-17(2)10(3-4-15)7-18(11)13/h5-7H,3-4,15H2,1-2H3
InChIKeyROQSPVPLAGKZPA-UHFFFAOYSA-N
XLogP2.29
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-3-methylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84633298
7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84639283
(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine
CID 84621320
2-(6-chloro-4,8-dimethylquinolin-2-yl)ethanamine
CID 82575556
2-(6-chloro-2,8-dimethylquinolin-4-yl)ethanamine
CID 82575608
3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
CID 82576605
2-(5-chloro-7-methylindol-1-yl)ethanamine
CID 130281365
(1-bromo-7-chloro-5-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84645503
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
2-(6-chloro-2,4-dimethylindol-1-yl)ethanamine
CID 135333293
(3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630360
N-methyl-1-(3,6,7-trimethylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630375

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The IUPAC name of 2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine (CID 84639038) is 2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine is Cc1cc(Cl)cc2c1nc1n(C)c(CCN)cn21.
What is the InChIKey of 2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
The InChIKey is ROQSPVPLAGKZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-8-5-9(14)6-11-12(8)16-13-17(2)10(3-4-15)7-18(11)13/h5-7H,3-4,15H2,1-2H3.
What are the key properties of 2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine?
2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine has a molecular weight of 262.74 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 84639038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).