4,5-dichloro-1,3-dimethyl-2H-imidazole

C5H8Cl2N2 — CID 21304542

IUPAC4,5-dichloro-1,3-dimethyl-2H-imidazole
SMILESCN1CN(C)C(Cl)=C1Cl
InChIInChI=1S/C5H8Cl2N2/c1-8-3-9(2)5(7)4(8)6/h3H2,1-2H3
InChIKeyKMOCCRPFSUXKJA-UHFFFAOYSA-N
MW167.04 g/mol
LogP1.43
Rot. Bonds

About 4,5-dichloro-1,3-dimethyl-2H-imidazole

4,5-dichloro-1,3-dimethyl-2H-imidazole (PubChem CID 21304542) has the molecular formula C5H8Cl2N2 and a molecular weight of 167.04 g/mol. Its IUPAC name is 4,5-dichloro-1,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name4,5-dichloro-1,3-dimethyl-2H-imidazole
PubChem CID21304542
Molecular FormulaC5H8Cl2N2
Molecular Weight167.04 g/mol
Exact Mass166.01
IUPAC Name4,5-dichloro-1,3-dimethyl-2H-imidazole
SMILESCN1CN(C)C(Cl)=C1Cl
InChIInChI=1S/C5H8Cl2N2/c1-8-3-9(2)5(7)4(8)6/h3H2,1-2H3
InChIKeyKMOCCRPFSUXKJA-UHFFFAOYSA-N
XLogP1.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.04
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-1-methyl-3-methylsulfanyl-2H-imidazole
CID 121241654
1,3,4,6-tetramethyl-2,5-dihydroimidazo[4,5-d]imidazole
CID 102582139
1,4-dimethyl-1,2,4-triazolidine-3-thione
CID 23394699
silver;4,5-dichloro-1,3-dimethyl-2H-imidazol-2-ide;hydrochloride
CID 51355055
methyl hydrogen carbonate;1,3,4,5-tetramethyl-2H-imidazole
CID 175286069
5-bromo-6-chloro-1-methyl-2,3-dihydroindole
CID 82622881
trichlorochromium(1+);1,3,5-trimethyl-1,3,5-triazinane
CID 87195451
5-chloro-6-iodo-2-methyl-3H-isoindol-1-one
CID 146393625
7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82399199
5-(5-bromo-4,6-dichloropyrimidin-2-yl)-1-methyl-2,3-dihydroindole
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3,5-dichloro-4-methyl-1,2,4-triazole
CID 45090542
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1,3-dimethyl-2H-imidazole?
The IUPAC name of 4,5-dichloro-1,3-dimethyl-2H-imidazole (CID 21304542) is 4,5-dichloro-1,3-dimethyl-2H-imidazole.
What is the SMILES notation for 4,5-dichloro-1,3-dimethyl-2H-imidazole?
The canonical SMILES for 4,5-dichloro-1,3-dimethyl-2H-imidazole is CN1CN(C)C(Cl)=C1Cl.
What is the InChIKey of 4,5-dichloro-1,3-dimethyl-2H-imidazole?
The InChIKey is KMOCCRPFSUXKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2N2/c1-8-3-9(2)5(7)4(8)6/h3H2,1-2H3.
What are the key properties of 4,5-dichloro-1,3-dimethyl-2H-imidazole?
4,5-dichloro-1,3-dimethyl-2H-imidazole has a molecular weight of 167.04 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1,3-dimethyl-2H-imidazole is sourced from PubChem (CID 21304542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).