4-chloro-1,5-dimethylimidazole

C5H7ClN2 — CID 59999519

IUPAC4-chloro-1,5-dimethylimidazole
SMILESCc1c(Cl)ncn1C
InChIInChI=1S/C5H7ClN2/c1-4-5(6)7-3-8(4)2/h3H,1-2H3
InChIKeyQUSFAMRQIOVQSO-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.38
Rot. Bonds

About 4-chloro-1,5-dimethylimidazole

4-chloro-1,5-dimethylimidazole (PubChem CID 59999519) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 4-chloro-1,5-dimethylimidazole.

Molecular Properties

Compound Name4-chloro-1,5-dimethylimidazole
PubChem CID59999519
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name4-chloro-1,5-dimethylimidazole
SMILESCc1c(Cl)ncn1C
InChIInChI=1S/C5H7ClN2/c1-4-5(6)7-3-8(4)2/h3H,1-2H3
InChIKeyQUSFAMRQIOVQSO-UHFFFAOYSA-N
XLogP1.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethylimidazole?
The IUPAC name of 4-chloro-1,5-dimethylimidazole (CID 59999519) is 4-chloro-1,5-dimethylimidazole.
What is the SMILES notation for 4-chloro-1,5-dimethylimidazole?
The canonical SMILES for 4-chloro-1,5-dimethylimidazole is Cc1c(Cl)ncn1C.
What is the InChIKey of 4-chloro-1,5-dimethylimidazole?
The InChIKey is QUSFAMRQIOVQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-4-5(6)7-3-8(4)2/h3H,1-2H3.
What are the key properties of 4-chloro-1,5-dimethylimidazole?
4-chloro-1,5-dimethylimidazole has a molecular weight of 130.58 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethylimidazole is sourced from PubChem (CID 59999519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).