1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea

C15H19ClN4O2 — CID 110893650

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccnc1)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O2/c16-13-4-2-12(3-5-13)14(21)10-19-15(22)18-6-1-8-20-9-7-17-11-20/h2-5,7,9,11,14,21H,1,6,8,10H2,(H2,18,19,22)
InChIKeyJWAZXEWBIMEWLV-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.96
Rot. Bonds7

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea (PubChem CID 110893650) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea
PubChem CID110893650
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccnc1)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O2/c16-13-4-2-12(3-5-13)14(21)10-19-15(22)18-6-1-8-20-9-7-17-11-20/h2-5,7,9,11,14,21H,1,6,8,10H2,(H2,18,19,22)
InChIKeyJWAZXEWBIMEWLV-UHFFFAOYSA-N
XLogP1.96
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)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

3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide
CID 110204989
(2S)-2-hydroxy-3-(3-imidazol-1-ylpropylcarbamoylamino)propanoic acid
CID 114007106
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 94172086
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113
(3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide
CID 124873986
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
CID 38214845
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea (CID 110893650) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea is O=C(NCCCn1ccnc1)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea?
The InChIKey is JWAZXEWBIMEWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c16-13-4-2-12(3-5-13)14(21)10-19-15(22)18-6-1-8-20-9-7-17-11-20/h2-5,7,9,11,14,21H,1,6,8,10H2,(H2,18,19,22).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea has a molecular weight of 322.80 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea is sourced from PubChem (CID 110893650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).