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

C8H13ClN2O2 — CID 143620870

IUPAC1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole
SMILESCOc1nc(OC)n(Cl)c1C(C)C
InChIInChI=1S/C8H13ClN2O2/c1-5(2)6-7(12-3)10-8(13-4)11(6)9/h5H,1-4H3
InChIKeyQCEYGKDBTISUSR-UHFFFAOYSA-N
MW204.66 g/mol
LogP2.03
Rot. Bonds3

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

1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole (PubChem CID 143620870) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole.

Molecular Properties

Compound Name1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole
PubChem CID143620870
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole
SMILESCOc1nc(OC)n(Cl)c1C(C)C
InChIInChI=1S/C8H13ClN2O2/c1-5(2)6-7(12-3)10-8(13-4)11(6)9/h5H,1-4H3
InChIKeyQCEYGKDBTISUSR-UHFFFAOYSA-N
XLogP2.03
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole?
The IUPAC name of 1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole (CID 143620870) is 1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole.
What is the SMILES notation for 1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole?
The canonical SMILES for 1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole is COc1nc(OC)n(Cl)c1C(C)C.
What is the InChIKey of 1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole?
The InChIKey is QCEYGKDBTISUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-5(2)6-7(12-3)10-8(13-4)11(6)9/h5H,1-4H3.
What are the key properties of 1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole?
1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole has a molecular weight of 204.66 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-dimethoxy-5-propan-2-ylimidazole is sourced from PubChem (CID 143620870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).