1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone

C17H28N2O4 — CID 10543982

IUPAC1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone
SMILESCCOCn1cc(CC[C@H]2COC(CC)(CC)O2)nc1C(C)=O
InChIInChI=1S/C17H28N2O4/c1-5-17(6-2)22-11-15(23-17)9-8-14-10-19(12-21-7-3)16(18-14)13(4)20/h10,15H,5-9,11-12H2,1-4H3/t15-/m0/s1
InChIKeyLSSCXXTZMJVREX-HNNXBMFYSA-N
MW324.42 g/mol
LogP2.94
Rot. Bonds9

About 1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone

1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone (PubChem CID 10543982) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone
PubChem CID10543982
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone
SMILESCCOCn1cc(CC[C@H]2COC(CC)(CC)O2)nc1C(C)=O
InChIInChI=1S/C17H28N2O4/c1-5-17(6-2)22-11-15(23-17)9-8-14-10-19(12-21-7-3)16(18-14)13(4)20/h10,15H,5-9,11-12H2,1-4H3/t15-/m0/s1
InChIKeyLSSCXXTZMJVREX-HNNXBMFYSA-N
XLogP2.94
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone?
The IUPAC name of 1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone (CID 10543982) is 1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone is CCOCn1cc(CC[C@H]2COC(CC)(CC)O2)nc1C(C)=O.
What is the InChIKey of 1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone?
The InChIKey is LSSCXXTZMJVREX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-5-17(6-2)22-11-15(23-17)9-8-14-10-19(12-21-7-3)16(18-14)13(4)20/h10,15H,5-9,11-12H2,1-4H3/t15-/m0/s1.
What are the key properties of 1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone?
1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]-1-(ethoxymethyl)imidazol-2-yl]ethanone is sourced from PubChem (CID 10543982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).