5-chloro-1-ethylimidazol-2-amine

C5H8ClN3 — CID 117260387

IUPAC5-chloro-1-ethylimidazol-2-amine
SMILESCCn1c(Cl)cnc1N
InChIInChI=1S/C5H8ClN3/c1-2-9-4(6)3-8-5(9)7/h3H,2H2,1H3,(H2,7,8)
InChIKeyQSZISIPSUZMIKK-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.14
Rot. Bonds1

About 5-chloro-1-ethylimidazol-2-amine

5-chloro-1-ethylimidazol-2-amine (PubChem CID 117260387) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 5-chloro-1-ethylimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-ethylimidazol-2-amine
PubChem CID117260387
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name5-chloro-1-ethylimidazol-2-amine
SMILESCCn1c(Cl)cnc1N
InChIInChI=1S/C5H8ClN3/c1-2-9-4(6)3-8-5(9)7/h3H,2H2,1H3,(H2,7,8)
InChIKeyQSZISIPSUZMIKK-UHFFFAOYSA-N
XLogP1.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-ethyl-2-(4-methylphenyl)imidazole
CID 117259483
1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine
CID 117193137
1-(5-chloro-1-ethylimidazol-2-yl)-4-methylpiperazine
CID 117260402
1-ethyl-5-(2-methylcyclopropyl)imidazol-2-amine
CID 130698488
5-(4-bromophenyl)-1-ethylimidazol-2-amine
CID 6917234
4-(5-chloro-1-ethylimidazol-2-yl)phenol
CID 137000636
5-chloro-2-(5-chlorofuran-2-yl)-1-ethylimidazole
CID 117259364
5-chloro-N-cyclobutyl-1-ethylimidazol-2-amine
CID 117260383
5-chloro-2-(5-chlorothiophen-2-yl)-1-ethylimidazole
CID 117259368
5-cyclopenta-1,3-dien-1-yl-1-ethylimidazol-2-amine
CID 126660229
1-ethyl-5-(3-methylphenyl)imidazol-2-amine
CID 45156658
1-butyl-5-chloro-2-methylimidazole
CID 123569144

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethylimidazol-2-amine?
The IUPAC name of 5-chloro-1-ethylimidazol-2-amine (CID 117260387) is 5-chloro-1-ethylimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-ethylimidazol-2-amine?
The canonical SMILES for 5-chloro-1-ethylimidazol-2-amine is CCn1c(Cl)cnc1N.
What is the InChIKey of 5-chloro-1-ethylimidazol-2-amine?
The InChIKey is QSZISIPSUZMIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c1-2-9-4(6)3-8-5(9)7/h3H,2H2,1H3,(H2,7,8).
What are the key properties of 5-chloro-1-ethylimidazol-2-amine?
5-chloro-1-ethylimidazol-2-amine has a molecular weight of 145.59 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethylimidazol-2-amine is sourced from PubChem (CID 117260387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).