2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine

C8H14ClN3 — CID 67067655

IUPAC2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine
SMILESCNCCn1c(C)nc(C)c1Cl
InChIInChI=1S/C8H14ClN3/c1-6-8(9)12(5-4-10-3)7(2)11-6/h10H,4-5H2,1-3H3
InChIKeyQRNFJXJNEBTMPY-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.37
Rot. Bonds3

About 2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine

2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine (PubChem CID 67067655) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine
PubChem CID67067655
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine
SMILESCNCCn1c(C)nc(C)c1Cl
InChIInChI=1S/C8H14ClN3/c1-6-8(9)12(5-4-10-3)7(2)11-6/h10H,4-5H2,1-3H3
InChIKeyQRNFJXJNEBTMPY-UHFFFAOYSA-N
XLogP1.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine (CID 67067655) is 2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine is CNCCn1c(C)nc(C)c1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine?
The InChIKey is QRNFJXJNEBTMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-6-8(9)12(5-4-10-3)7(2)11-6/h10H,4-5H2,1-3H3.
What are the key properties of 2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine?
2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine has a molecular weight of 187.67 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethylimidazol-1-yl)-N-methylethanamine is sourced from PubChem (CID 67067655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).