5-chloro-1-cyclopropylimidazole

C6H7ClN2 — CID 169168171

IUPAC5-chloro-1-cyclopropylimidazole
SMILESClc1cncn1C1CC1
InChIInChI=1S/C6H7ClN2/c7-6-3-8-4-9(6)5-1-2-5/h3-5H,1-2H2
InChIKeyGONHELLLSLNYNH-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.87
Rot. Bonds1

About 5-chloro-1-cyclopropylimidazole

5-chloro-1-cyclopropylimidazole (PubChem CID 169168171) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 5-chloro-1-cyclopropylimidazole.

Molecular Properties

Compound Name5-chloro-1-cyclopropylimidazole
PubChem CID169168171
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name5-chloro-1-cyclopropylimidazole
SMILESClc1cncn1C1CC1
InChIInChI=1S/C6H7ClN2/c7-6-3-8-4-9(6)5-1-2-5/h3-5H,1-2H2
InChIKeyGONHELLLSLNYNH-UHFFFAOYSA-N
XLogP1.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclopropylimidazole?
The IUPAC name of 5-chloro-1-cyclopropylimidazole (CID 169168171) is 5-chloro-1-cyclopropylimidazole.
What is the SMILES notation for 5-chloro-1-cyclopropylimidazole?
The canonical SMILES for 5-chloro-1-cyclopropylimidazole is Clc1cncn1C1CC1.
What is the InChIKey of 5-chloro-1-cyclopropylimidazole?
The InChIKey is GONHELLLSLNYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c7-6-3-8-4-9(6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 5-chloro-1-cyclopropylimidazole?
5-chloro-1-cyclopropylimidazole has a molecular weight of 142.59 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclopropylimidazole is sourced from PubChem (CID 169168171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).