1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea

C18H14ClF3N4O — CID 5148227

IUPAC1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea
SMILESCc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF3N4O/c1-11-23-8-9-26(11)16-7-2-12(18(20,21)22)10-15(16)25-17(27)24-14-5-3-13(19)4-6-14/h2-10H,1H3,(H2,24,25,27)
InChIKeyUTLPQWIDGIDOKG-UHFFFAOYSA-N
MW394.78 g/mol
LogP5.50
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea

1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea (PubChem CID 5148227) has the molecular formula C18H14ClF3N4O and a molecular weight of 394.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea
PubChem CID5148227
Molecular FormulaC18H14ClF3N4O
Molecular Weight394.78 g/mol
Exact Mass394.08
IUPAC Name1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea
SMILESCc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF3N4O/c1-11-23-8-9-26(11)16-7-2-12(18(20,21)22)10-15(16)25-17(27)24-14-5-3-13(19)4-6-14/h2-10H,1H3,(H2,24,25,27)
InChIKeyUTLPQWIDGIDOKG-UHFFFAOYSA-N
XLogP5.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.78
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea (CID 5148227) is 1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea is Cc1nccn1-c1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea?
The InChIKey is UTLPQWIDGIDOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O/c1-11-23-8-9-26(11)16-7-2-12(18(20,21)22)10-15(16)25-17(27)24-14-5-3-13(19)4-6-14/h2-10H,1H3,(H2,24,25,27).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea?
1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea has a molecular weight of 394.78 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 5148227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).