1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea

C13H14Cl2N4O — CID 47032146

IUPAC1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccnc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N4O/c14-10-3-1-4-11(12(10)15)18-13(20)17-5-2-7-19-8-6-16-9-19/h1,3-4,6,8-9H,2,5,7H2,(H2,17,18,20)
InChIKeyPFYJIQQPUVXFGE-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.40
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea

1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea (PubChem CID 47032146) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
PubChem CID47032146
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccnc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N4O/c14-10-3-1-4-11(12(10)15)18-13(20)17-5-2-7-19-8-6-16-9-19/h1,3-4,6,8-9H,2,5,7H2,(H2,17,18,20)
InChIKeyPFYJIQQPUVXFGE-UHFFFAOYSA-N
XLogP3.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3107625
1-(3-chloro-2-methylsulfanylphenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 75374612
1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea
CID 56823902
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
1-(2,3-dichlorophenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889334
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569650
3-chloro-1-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
CID 104833984
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3145465

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea (CID 47032146) is 1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea is O=C(NCCCn1ccnc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea?
The InChIKey is PFYJIQQPUVXFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c14-10-3-1-4-11(12(10)15)18-13(20)17-5-2-7-19-8-6-16-9-19/h1,3-4,6,8-9H,2,5,7H2,(H2,17,18,20).
What are the key properties of 1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea?
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea has a molecular weight of 313.19 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea is sourced from PubChem (CID 47032146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).