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

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

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Related Compounds

6-methyl-4-[3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 118740028
N-isobutyl-N'-{2-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]ethyl}urea
CID 91923946
2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820595
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-3-methylbutanamide
CID 91923937
3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]-N-methylpyrrolidine-1-carboxamide
CID 124046121
N-[2-(2-cyclopropyl-5-methylimidazol-1-yl)ethyl]-2-morpholin-4-ylacetamide
CID 124048748
Ethyl 5-methyl-1H-imidazole-2-carboxylate
CID 24974466
N-methyl-N-[(4-methyl-1H-imidazol-2-yl)methyl]-2-morpholin-4-ylacetamide
CID 86284829
N-[(3S*,4S*)-1-isopropyl-4-methoxypyrrolidin-3-yl]-4-methyl-1H-imidazole-2-carboxamide
CID 91760957
2-(2-methoxyethyl)-4-[(4-methyl-1H-imidazol-2-yl)carbonyl]morpholine
CID 91765329
N-Methyl-N-[(4-methyl-1H-imidazol-2-YL)methyl]-4-(2-oxopyrrolidin-1-YL)butanamide
CID 91831350
N~1~-(1,1-dimethylpropyl)-N~2~-methyl-N~2~-[(4-methyl-1H-imidazol-2-yl)methyl]glycinamide
CID 91832938

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).