1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea

C19H19ClN4O3 — CID 56554684

IUPAC1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O3/c1-13-12-22-19(26)24(13)17-8-3-2-7-16(17)23-18(25)21-9-10-27-15-6-4-5-14(20)11-15/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H2,21,23,25)
InChIKeyPWWYJUSXWKRUFV-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.33
Rot. Bonds6

About 1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea

1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea (PubChem CID 56554684) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
PubChem CID56554684
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O3/c1-13-12-22-19(26)24(13)17-8-3-2-7-16(17)23-18(25)21-9-10-27-15-6-4-5-14(20)11-15/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H2,21,23,25)
InChIKeyPWWYJUSXWKRUFV-UHFFFAOYSA-N
XLogP3.33
TPSA88.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-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-[2-(3-chlorophenoxy)ethyl]-3-(2-cyanophenyl)urea
CID 112970884
4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 56554813
1-[2-(3-chlorophenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112970797
1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553421
N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide
CID 55744579
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
1-[2-(3-bromophenoxy)ethyl]-3-(5-chloro-2-methylphenyl)urea
CID 112971220
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 112970850
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
CID 108887027
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea (CID 56554684) is 1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea is Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The InChIKey is PWWYJUSXWKRUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-13-12-22-19(26)24(13)17-8-3-2-7-16(17)23-18(25)21-9-10-27-15-6-4-5-14(20)11-15/h2-8,11-12H,9-10H2,1H3,(H,22,26)(H2,21,23,25).
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea has a molecular weight of 386.84 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea is sourced from PubChem (CID 56554684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).