3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide

C24H24ClF3N4O5 — CID 148878189

IUPAC3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide
SMILESCNc1nc(Oc2cccc(C(F)(F)F)c2)n(Cc2ccc(Cl)cc2)c1C(=O)N(C=O)CCOCCO
InChIInChI=1S/C24H24ClF3N4O5/c1-29-21-20(22(35)31(15-34)9-11-36-12-10-33)32(14-16-5-7-18(25)8-6-16)23(30-21)37-19-4-2-3-17(13-19)24(26,27)28/h2-8,13,15,29,33H,9-12,14H2,1H3
InChIKeyPCNJFHQQHLSWBP-UHFFFAOYSA-N
MW540.93 g/mol
LogP4.05
Rot. Bonds12

About 3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide

3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide (PubChem CID 148878189) has the molecular formula C24H24ClF3N4O5 and a molecular weight of 540.93 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide
PubChem CID148878189
Molecular FormulaC24H24ClF3N4O5
Molecular Weight540.93 g/mol
Exact Mass540.14
IUPAC Name3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide
SMILESCNc1nc(Oc2cccc(C(F)(F)F)c2)n(Cc2ccc(Cl)cc2)c1C(=O)N(C=O)CCOCCO
InChIInChI=1S/C24H24ClF3N4O5/c1-29-21-20(22(35)31(15-34)9-11-36-12-10-33)32(14-16-5-7-18(25)8-6-16)23(30-21)37-19-4-2-3-17(13-19)24(26,27)28/h2-8,13,15,29,33H,9-12,14H2,1H3
InChIKeyPCNJFHQQHLSWBP-UHFFFAOYSA-N
XLogP4.05
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.93
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide 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 3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide (CID 148878189) is 3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide is CNc1nc(Oc2cccc(C(F)(F)F)c2)n(Cc2ccc(Cl)cc2)c1C(=O)N(C=O)CCOCCO.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide?
The InChIKey is PCNJFHQQHLSWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O5/c1-29-21-20(22(35)31(15-34)9-11-36-12-10-33)32(14-16-5-7-18(25)8-6-16)23(30-21)37-19-4-2-3-17(13-19)24(26,27)28/h2-8,13,15,29,33H,9-12,14H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide?
3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide has a molecular weight of 540.93 g/mol, XLogP of 4.05, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide is sourced from PubChem (CID 148878189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).