1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea

C14H18N4O2 — CID 111453463

IUPAC1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
SMILESCN(CCO)C(=O)Nc1cccc(-c2nccn2C)c1
InChIInChI=1S/C14H18N4O2/c1-17-7-6-15-13(17)11-4-3-5-12(10-11)16-14(20)18(2)8-9-19/h3-7,10,19H,8-9H2,1-2H3,(H,16,20)
InChIKeyVBKLFXVUTUSZDI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.54
Rot. Bonds4

About 1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea

1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea (PubChem CID 111453463) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
PubChem CID111453463
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
SMILESCN(CCO)C(=O)Nc1cccc(-c2nccn2C)c1
InChIInChI=1S/C14H18N4O2/c1-17-7-6-15-13(17)11-4-3-5-12(10-11)16-14(20)18(2)8-9-19/h3-7,10,19H,8-9H2,1-2H3,(H,16,20)
InChIKeyVBKLFXVUTUSZDI-UHFFFAOYSA-N
XLogP1.54
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea (CID 111453463) is 1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea is CN(CCO)C(=O)Nc1cccc(-c2nccn2C)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
The InChIKey is VBKLFXVUTUSZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-7-6-15-13(17)11-4-3-5-12(10-11)16-14(20)18(2)8-9-19/h3-7,10,19H,8-9H2,1-2H3,(H,16,20).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea?
1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea has a molecular weight of 274.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea is sourced from PubChem (CID 111453463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).