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

C7H11ClN2 — CID 14641993

IUPAC4-chloro-2,5-diethyl-1H-imidazole
SMILESCCc1nc(Cl)c(CC)[nH]1
InChIInChI=1S/C7H11ClN2/c1-3-5-7(8)10-6(4-2)9-5/h3-4H2,1-2H3,(H,9,10)
InChIKeyKNGNWTQWESBSFX-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.19
Rot. Bonds2

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

4-chloro-2,5-diethyl-1H-imidazole (PubChem CID 14641993) has the molecular formula C7H11ClN2 and a molecular weight of 158.63 g/mol. Its IUPAC name is 4-chloro-2,5-diethyl-1H-imidazole.

Molecular Properties

Compound Name4-chloro-2,5-diethyl-1H-imidazole
PubChem CID14641993
Molecular FormulaC7H11ClN2
Molecular Weight158.63 g/mol
Exact Mass158.06
IUPAC Name4-chloro-2,5-diethyl-1H-imidazole
SMILESCCc1nc(Cl)c(CC)[nH]1
InChIInChI=1S/C7H11ClN2/c1-3-5-7(8)10-6(4-2)9-5/h3-4H2,1-2H3,(H,9,10)
InChIKeyKNGNWTQWESBSFX-UHFFFAOYSA-N
XLogP2.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2,5-diethyl-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

Related Compounds

2-(5-Chloro-1H-imidazol-4-YL)ethan-1-amine
CID 575677
2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine
CID 15839630
2,4,5-trimethyl-1H-imidazole hydrochloride
CID 67901281
4-(Chloromethyl)-2,5-dimethyl-1H-imidazole hydrochloride
CID 12647304
4-chloro-2-ethyl-5-methyl-1H-imidazole
CID 85644689
5-Ethyl-2,4-dimethyl-1H-imidazole
CID 15724086
4-chloro-5-methyl-2-(trifluoromethyl)-1H-imidazole
CID 91041704
4-chloro-2-(chloromethyl)-5-(4,4,4-trifluorobutyl)-1H-imidazole
CID 118456602
4-chloro-2-fluoro-5-methyl-1H-imidazole
CID 138494865
5-tert-butyl-4-chloro-2-fluoro-1H-imidazole
CID 146377696
4-Chloro-2,5-diethylimidazole-1-carbonitrile
CID 14641987
5-ethyl-2-(trifluoromethyl)-1H-imidazol-4-amine
CID 82373999

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-diethyl-1H-imidazole?
The IUPAC name of 4-chloro-2,5-diethyl-1H-imidazole (CID 14641993) is 4-chloro-2,5-diethyl-1H-imidazole.
What is the SMILES notation for 4-chloro-2,5-diethyl-1H-imidazole?
The canonical SMILES for 4-chloro-2,5-diethyl-1H-imidazole is CCc1nc(Cl)c(CC)[nH]1.
What is the InChIKey of 4-chloro-2,5-diethyl-1H-imidazole?
The InChIKey is KNGNWTQWESBSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2/c1-3-5-7(8)10-6(4-2)9-5/h3-4H2,1-2H3,(H,9,10).
What are the key properties of 4-chloro-2,5-diethyl-1H-imidazole?
4-chloro-2,5-diethyl-1H-imidazole has a molecular weight of 158.63 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-diethyl-1H-imidazole is sourced from PubChem (CID 14641993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).