5-chloro-1,2-dimethyl-4-propan-2-ylimidazole

C8H13ClN2 — CID 59983178

IUPAC5-chloro-1,2-dimethyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)c(Cl)n1C
InChIInChI=1S/C8H13ClN2/c1-5(2)7-8(9)11(4)6(3)10-7/h5H,1-4H3
InChIKeyFKOLNYZUJQZIEA-UHFFFAOYSA-N
MW172.66 g/mol
LogP2.51
Rot. Bonds1

About 5-chloro-1,2-dimethyl-4-propan-2-ylimidazole

5-chloro-1,2-dimethyl-4-propan-2-ylimidazole (PubChem CID 59983178) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 5-chloro-1,2-dimethyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name5-chloro-1,2-dimethyl-4-propan-2-ylimidazole
PubChem CID59983178
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name5-chloro-1,2-dimethyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)c(Cl)n1C
InChIInChI=1S/C8H13ClN2/c1-5(2)7-8(9)11(4)6(3)10-7/h5H,1-4H3
InChIKeyFKOLNYZUJQZIEA-UHFFFAOYSA-N
XLogP2.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-dimethyl-4-propan-2-ylimidazole?
The IUPAC name of 5-chloro-1,2-dimethyl-4-propan-2-ylimidazole (CID 59983178) is 5-chloro-1,2-dimethyl-4-propan-2-ylimidazole.
What is the SMILES notation for 5-chloro-1,2-dimethyl-4-propan-2-ylimidazole?
The canonical SMILES for 5-chloro-1,2-dimethyl-4-propan-2-ylimidazole is Cc1nc(C(C)C)c(Cl)n1C.
What is the InChIKey of 5-chloro-1,2-dimethyl-4-propan-2-ylimidazole?
The InChIKey is FKOLNYZUJQZIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2/c1-5(2)7-8(9)11(4)6(3)10-7/h5H,1-4H3.
What are the key properties of 5-chloro-1,2-dimethyl-4-propan-2-ylimidazole?
5-chloro-1,2-dimethyl-4-propan-2-ylimidazole has a molecular weight of 172.66 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-dimethyl-4-propan-2-ylimidazole is sourced from PubChem (CID 59983178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).