4-chloro-5-ethyl-2-methyl-1H-imidazole

C6H9ClN2 — CID 66884726

IUPAC4-chloro-5-ethyl-2-methyl-1H-imidazole
SMILESCCc1[nH]c(C)nc1Cl
InChIInChI=1S/C6H9ClN2/c1-3-5-6(7)9-4(2)8-5/h3H2,1-2H3,(H,8,9)
InChIKeyVIDBHRRWSLQFCY-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.93
Rot. Bonds1

About 4-chloro-5-ethyl-2-methyl-1H-imidazole

4-chloro-5-ethyl-2-methyl-1H-imidazole (PubChem CID 66884726) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2-methyl-1H-imidazole.

Molecular Properties

Compound Name4-chloro-5-ethyl-2-methyl-1H-imidazole
PubChem CID66884726
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name4-chloro-5-ethyl-2-methyl-1H-imidazole
SMILESCCc1[nH]c(C)nc1Cl
InChIInChI=1S/C6H9ClN2/c1-3-5-6(7)9-4(2)8-5/h3H2,1-2H3,(H,8,9)
InChIKeyVIDBHRRWSLQFCY-UHFFFAOYSA-N
XLogP1.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2-methyl-1H-imidazole?
The IUPAC name of 4-chloro-5-ethyl-2-methyl-1H-imidazole (CID 66884726) is 4-chloro-5-ethyl-2-methyl-1H-imidazole.
What is the SMILES notation for 4-chloro-5-ethyl-2-methyl-1H-imidazole?
The canonical SMILES for 4-chloro-5-ethyl-2-methyl-1H-imidazole is CCc1[nH]c(C)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-2-methyl-1H-imidazole?
The InChIKey is VIDBHRRWSLQFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-3-5-6(7)9-4(2)8-5/h3H2,1-2H3,(H,8,9).
What are the key properties of 4-chloro-5-ethyl-2-methyl-1H-imidazole?
4-chloro-5-ethyl-2-methyl-1H-imidazole has a molecular weight of 144.60 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2-methyl-1H-imidazole is sourced from PubChem (CID 66884726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).