3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea

C13H24N4O2 — CID 122559961

IUPAC3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
SMILESCCOCC(C)(C)NC(=O)N(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C13H24N4O2/c1-6-19-9-13(3,4)16-12(18)17(5)8-11-14-7-10(2)15-11/h7H,6,8-9H2,1-5H3,(H,14,15)(H,16,18)
InChIKeyBRSRLIWUNAEOQG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.67
Rot. Bonds6

About 3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea

3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea (PubChem CID 122559961) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
PubChem CID122559961
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
SMILESCCOCC(C)(C)NC(=O)N(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C13H24N4O2/c1-6-19-9-13(3,4)16-12(18)17(5)8-11-14-7-10(2)15-11/h7H,6,8-9H2,1-5H3,(H,14,15)(H,16,18)
InChIKeyBRSRLIWUNAEOQG-UHFFFAOYSA-N
XLogP1.67
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The IUPAC name of 3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea (CID 122559961) is 3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The canonical SMILES for 3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea is CCOCC(C)(C)NC(=O)N(C)Cc1ncc(C)[nH]1.
What is the InChIKey of 3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
The InChIKey is BRSRLIWUNAEOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-19-9-13(3,4)16-12(18)17(5)8-11-14-7-10(2)15-11/h7H,6,8-9H2,1-5H3,(H,14,15)(H,16,18).
What are the key properties of 3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea?
3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea has a molecular weight of 268.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-2-methylpropan-2-yl)-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea is sourced from PubChem (CID 122559961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).