2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole

C19H28N6O3 — CID 13047418

IUPAC2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole
SMILESCCOCn1ccnc1C(c1nccn1COCC)c1nccn1COCC
InChIInChI=1S/C19H28N6O3/c1-4-26-13-23-10-7-20-17(23)16(18-21-8-11-24(18)14-27-5-2)19-22-9-12-25(19)15-28-6-3/h7-12,16H,4-6,13-15H2,1-3H3
InChIKeyNHLSFRQXYDDACO-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.44
Rot. Bonds12

About 2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole

2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole (PubChem CID 13047418) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole.

Molecular Properties

Compound Name2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole
PubChem CID13047418
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole
SMILESCCOCn1ccnc1C(c1nccn1COCC)c1nccn1COCC
InChIInChI=1S/C19H28N6O3/c1-4-26-13-23-10-7-20-17(23)16(18-21-8-11-24(18)14-27-5-2)19-22-9-12-25(19)15-28-6-3/h7-12,16H,4-6,13-15H2,1-3H3
InChIKeyNHLSFRQXYDDACO-UHFFFAOYSA-N
XLogP2.44
TPSA81.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole?
The IUPAC name of 2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole (CID 13047418) is 2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole.
What is the SMILES notation for 2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole?
The canonical SMILES for 2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole is CCOCn1ccnc1C(c1nccn1COCC)c1nccn1COCC.
What is the InChIKey of 2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole?
The InChIKey is NHLSFRQXYDDACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-4-26-13-23-10-7-20-17(23)16(18-21-8-11-24(18)14-27-5-2)19-22-9-12-25(19)15-28-6-3/h7-12,16H,4-6,13-15H2,1-3H3.
What are the key properties of 2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole?
2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole has a molecular weight of 388.47 g/mol, XLogP of 2.44, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[1-(ethoxymethyl)imidazol-2-yl]methyl]-1-(ethoxymethyl)imidazole is sourced from PubChem (CID 13047418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).