1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea

C17H24N4O2 — CID 71974869

IUPAC1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
SMILESCC(C)(O)CNC(=O)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C17H24N4O2/c1-17(2,23)13-20-16(22)19-12-15-18-9-11-21(15)10-8-14-6-4-3-5-7-14/h3-7,9,11,23H,8,10,12-13H2,1-2H3,(H2,19,20,22)
InChIKeyKBBXKQSVJUSYJB-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.70
Rot. Bonds7

About 1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea

1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea (PubChem CID 71974869) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
PubChem CID71974869
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
SMILESCC(C)(O)CNC(=O)NCc1nccn1CCc1ccccc1
InChIInChI=1S/C17H24N4O2/c1-17(2,23)13-20-16(22)19-12-15-18-9-11-21(15)10-8-14-6-4-3-5-7-14/h3-7,9,11,23H,8,10,12-13H2,1-2H3,(H2,19,20,22)
InChIKeyKBBXKQSVJUSYJB-UHFFFAOYSA-N
XLogP1.70
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea (CID 71974869) is 1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea is CC(C)(O)CNC(=O)NCc1nccn1CCc1ccccc1.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
The InChIKey is KBBXKQSVJUSYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,23)13-20-16(22)19-12-15-18-9-11-21(15)10-8-14-6-4-3-5-7-14/h3-7,9,11,23H,8,10,12-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea?
1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea has a molecular weight of 316.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea is sourced from PubChem (CID 71974869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).