2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine

C13H24ClN5 — CID 84743632

IUPAC2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCNCC(c1c(Cl)nc(C)n1C)N1CCN(C)CC1
InChIInChI=1S/C13H24ClN5/c1-10-16-13(14)12(18(10)4)11(9-15-2)19-7-5-17(3)6-8-19/h11,15H,5-9H2,1-4H3
InChIKeyWSPBSLNRKYPCDU-UHFFFAOYSA-N
MW285.82 g/mol
LogP0.89
Rot. Bonds4

About 2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine

2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 84743632) has the molecular formula C13H24ClN5 and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID84743632
Molecular FormulaC13H24ClN5
Molecular Weight285.82 g/mol
Exact Mass285.17
IUPAC Name2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCNCC(c1c(Cl)nc(C)n1C)N1CCN(C)CC1
InChIInChI=1S/C13H24ClN5/c1-10-16-13(14)12(18(10)4)11(9-15-2)19-7-5-17(3)6-8-19/h11,15H,5-9H2,1-4H3
InChIKeyWSPBSLNRKYPCDU-UHFFFAOYSA-N
XLogP0.89
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-methyl-2-(2,3,5-trimethylimidazol-4-yl)ethanamine
CID 84743409
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 84744537
2-(2,3-dichlorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692567
2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692556
2-(5-chloro-3-methylimidazol-4-yl)-2-(4-cyclopentylpiperazin-1-yl)-N-methylethanamine
CID 84744809
2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine
CID 84745616
2-(5-chloro-2,3-dimethylimidazol-4-yl)-2-piperidin-1-ylacetic acid
CID 84743174
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine
CID 84745575
2-(4-methylpiperazin-1-yl)-2-(2,3,5-trimethylimidazol-4-yl)acetonitrile
CID 84741870
2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 84744402
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745570
2-(2,4-dimethoxyphenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692561

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine (CID 84743632) is 2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine is CNCC(c1c(Cl)nc(C)n1C)N1CCN(C)CC1.
What is the InChIKey of 2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is WSPBSLNRKYPCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5/c1-10-16-13(14)12(18(10)4)11(9-15-2)19-7-5-17(3)6-8-19/h11,15H,5-9H2,1-4H3.
What are the key properties of 2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine?
2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 285.82 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84743632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).