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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111435009
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
1-[2-(2-hydroxyethyl)pentyl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474632
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 84584319
1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119856062
N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 60557169
1-(5-hydroxy-4,4-dimethylpentyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111474629
3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431118
3-ethyl-6-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]pyridazine-4-carboxamide
CID 136530773

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).