2-chloro-4,5-dimethyl-1H-imidazole

C5H7ClN2 — CID 30033000

IUPAC2-chloro-4,5-dimethyl-1H-imidazole
SMILESCc1nc(Cl)[nH]c1C
InChIInChI=1S/C5H7ClN2/c1-3-4(2)8-5(6)7-3/h1-2H3,(H,7,8)
InChIKeyGLTFDLMWNUVVOJ-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.68
Rot. Bonds

About 2-chloro-4,5-dimethyl-1H-imidazole

2-chloro-4,5-dimethyl-1H-imidazole (PubChem CID 30033000) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 2-chloro-4,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name2-chloro-4,5-dimethyl-1H-imidazole
PubChem CID30033000
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name2-chloro-4,5-dimethyl-1H-imidazole
SMILESCc1nc(Cl)[nH]c1C
InChIInChI=1S/C5H7ClN2/c1-3-4(2)8-5(6)7-3/h1-2H3,(H,7,8)
InChIKeyGLTFDLMWNUVVOJ-UHFFFAOYSA-N
XLogP1.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4,5-dimethyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethyl-1H-imidazole?
The IUPAC name of 2-chloro-4,5-dimethyl-1H-imidazole (CID 30033000) is 2-chloro-4,5-dimethyl-1H-imidazole.
What is the SMILES notation for 2-chloro-4,5-dimethyl-1H-imidazole?
The canonical SMILES for 2-chloro-4,5-dimethyl-1H-imidazole is Cc1nc(Cl)[nH]c1C.
What is the InChIKey of 2-chloro-4,5-dimethyl-1H-imidazole?
The InChIKey is GLTFDLMWNUVVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c1-3-4(2)8-5(6)7-3/h1-2H3,(H,7,8).
What are the key properties of 2-chloro-4,5-dimethyl-1H-imidazole?
2-chloro-4,5-dimethyl-1H-imidazole has a molecular weight of 130.58 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethyl-1H-imidazole is sourced from PubChem (CID 30033000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).