4-chloro-2,5-diethylimidazole-1-carbonitrile

C8H10ClN3 — CID 14641987

IUPAC4-chloro-2,5-diethylimidazole-1-carbonitrile
SMILESCCc1nc(Cl)c(CC)n1C#N
InChIInChI=1S/C8H10ClN3/c1-3-6-8(9)11-7(4-2)12(6)5-10/h3-4H2,1-2H3
InChIKeyRTBYNHVZRFMYDW-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.99
Rot. Bonds2

About 4-chloro-2,5-diethylimidazole-1-carbonitrile

4-chloro-2,5-diethylimidazole-1-carbonitrile (PubChem CID 14641987) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 4-chloro-2,5-diethylimidazole-1-carbonitrile.

Molecular Properties

Compound Name4-chloro-2,5-diethylimidazole-1-carbonitrile
PubChem CID14641987
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name4-chloro-2,5-diethylimidazole-1-carbonitrile
SMILESCCc1nc(Cl)c(CC)n1C#N
InChIInChI=1S/C8H10ClN3/c1-3-6-8(9)11-7(4-2)12(6)5-10/h3-4H2,1-2H3
InChIKeyRTBYNHVZRFMYDW-UHFFFAOYSA-N
XLogP1.99
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Tert-butyl-4-chloro-2-fluoro-1-methylimidazole
CID 146377732
4-Tert-butyl-5-chloro-2-fluoro-1-methylimidazole
CID 146377938
4-Chloro-2,5-dimethylimidazole-1-carbonitrile
CID 14641986
4-Chloro-2,5-dipropylimidazole-1-carbonitrile
CID 14641988
2,5-Dibutyl-4-chloroimidazole-1-carbonitrile
CID 14641989
4-chloro-1-cyano-2,5-diisobutyl-1H-imidazole
CID 14641990
1-Methyl-2-chloromethyl(cyanomethyl)-5-chloroimidazole
CID 129785918
5-Chloro-1,2,4-trimethylimidazole
CID 58099712
4-Chloro-1,2,5-trimethylimidazole
CID 58099843
5-Chloro-1,2-dimethyl-4-propan-2-ylimidazole
CID 59983178
4-chloro-5-ethyl-2-methyl-1H-imidazole
CID 66884726
1,2-Ditert-butyl-4-chloro-5-methylimidazole
CID 71182156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-diethylimidazole-1-carbonitrile?
The IUPAC name of 4-chloro-2,5-diethylimidazole-1-carbonitrile (CID 14641987) is 4-chloro-2,5-diethylimidazole-1-carbonitrile.
What is the SMILES notation for 4-chloro-2,5-diethylimidazole-1-carbonitrile?
The canonical SMILES for 4-chloro-2,5-diethylimidazole-1-carbonitrile is CCc1nc(Cl)c(CC)n1C#N.
What is the InChIKey of 4-chloro-2,5-diethylimidazole-1-carbonitrile?
The InChIKey is RTBYNHVZRFMYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-3-6-8(9)11-7(4-2)12(6)5-10/h3-4H2,1-2H3.
What are the key properties of 4-chloro-2,5-diethylimidazole-1-carbonitrile?
4-chloro-2,5-diethylimidazole-1-carbonitrile has a molecular weight of 183.64 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-diethylimidazole-1-carbonitrile is sourced from PubChem (CID 14641987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).