1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea

C14H18N4O2 — CID 61461408

IUPAC1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea
SMILESCC(O)c1ccc(NC(=O)NCCn2ccnc2)cc1
InChIInChI=1S/C14H18N4O2/c1-11(19)12-2-4-13(5-3-12)17-14(20)16-7-9-18-8-6-15-10-18/h2-6,8,10-11,19H,7,9H2,1H3,(H2,16,17,20)
InChIKeyLFJAOAGYZYEMNL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.76
Rot. Bonds5

About 1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea

1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea (PubChem CID 61461408) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea
PubChem CID61461408
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea
SMILESCC(O)c1ccc(NC(=O)NCCn2ccnc2)cc1
InChIInChI=1S/C14H18N4O2/c1-11(19)12-2-4-13(5-3-12)17-14(20)16-7-9-18-8-6-15-10-18/h2-6,8,10-11,19H,7,9H2,1H3,(H2,16,17,20)
InChIKeyLFJAOAGYZYEMNL-UHFFFAOYSA-N
XLogP1.76
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(2-imidazol-1-ylethylcarbamoylamino)phenyl]carbamate
CID 56827057
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
2-hydroxy-5-(2-imidazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461800
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
1-[4-(1-hydroxyethyl)phenyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 62641101
1-(2-imidazol-1-ylethyl)-3-phenylthiourea
CID 115570770
1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
CID 61342170
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
CID 47032101
4-(2-imidazol-1-ylethylcarbamoylamino)-3-methylbenzoic acid
CID 61461928
2-bromo-N-(2-imidazol-1-ylethyl)-3-methylbutanamide
CID 61325327

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea (CID 61461408) is 1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea is CC(O)c1ccc(NC(=O)NCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea?
The InChIKey is LFJAOAGYZYEMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(19)12-2-4-13(5-3-12)17-14(20)16-7-9-18-8-6-15-10-18/h2-6,8,10-11,19H,7,9H2,1H3,(H2,16,17,20).
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea?
1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea has a molecular weight of 274.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea is sourced from PubChem (CID 61461408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).