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

C8H14ClN3 — CID 22364400

IUPAC1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine
SMILESCNC(C)n1c(C)nc(Cl)c1C
InChIInChI=1S/C8H14ClN3/c1-5-8(9)11-7(3)12(5)6(2)10-4/h6,10H,1-4H3
InChIKeyVZIKFSCTNATXPK-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.89
Rot. Bonds2

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

1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine (PubChem CID 22364400) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine
PubChem CID22364400
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine
SMILESCNC(C)n1c(C)nc(Cl)c1C
InChIInChI=1S/C8H14ClN3/c1-5-8(9)11-7(3)12(5)6(2)10-4/h6,10H,1-4H3
InChIKeyVZIKFSCTNATXPK-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine?
The IUPAC name of 1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine (CID 22364400) is 1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine is CNC(C)n1c(C)nc(Cl)c1C.
What is the InChIKey of 1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine?
The InChIKey is VZIKFSCTNATXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-5-8(9)11-7(3)12(5)6(2)10-4/h6,10H,1-4H3.
What are the key properties of 1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine?
1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine has a molecular weight of 187.67 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethylimidazol-1-yl)-N-methylethanamine is sourced from PubChem (CID 22364400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).