propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate

C10H14Cl2N2O3 — CID 54309960

IUPACpropan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate
SMILESCCOCn1c(C(=O)OC(C)C)nc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2O3/c1-4-16-5-14-8(12)7(11)13-9(14)10(15)17-6(2)3/h6H,4-5H2,1-3H3
InChIKeySKEDUYUOSJDDRQ-UHFFFAOYSA-N
MW281.14 g/mol
LogP2.75
Rot. Bonds5

About propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate

propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate (PubChem CID 54309960) has the molecular formula C10H14Cl2N2O3 and a molecular weight of 281.14 g/mol. Its IUPAC name is propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate
PubChem CID54309960
Molecular FormulaC10H14Cl2N2O3
Molecular Weight281.14 g/mol
Exact Mass280.04
IUPAC Namepropan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate
SMILESCCOCn1c(C(=O)OC(C)C)nc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2O3/c1-4-16-5-14-8(12)7(11)13-9(14)10(15)17-6(2)3/h6H,4-5H2,1-3H3
InChIKeySKEDUYUOSJDDRQ-UHFFFAOYSA-N
XLogP2.75
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate?
The IUPAC name of propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate (CID 54309960) is propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate.
What is the SMILES notation for propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate?
The canonical SMILES for propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate is CCOCn1c(C(=O)OC(C)C)nc(Cl)c1Cl.
What is the InChIKey of propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate?
The InChIKey is SKEDUYUOSJDDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3/c1-4-16-5-14-8(12)7(11)13-9(14)10(15)17-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate?
propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate has a molecular weight of 281.14 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4,5-dichloro-1-(ethoxymethyl)imidazole-2-carboxylate is sourced from PubChem (CID 54309960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).