N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide

C23H24ClF3N4O3 — CID 130445796

IUPACN-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
SMILESCCCCNC(=O)c1c(NC)nc(Oc2cccc(OC(F)(F)F)c2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClF3N4O3/c1-3-4-12-29-21(32)19-20(28-2)30-22(31(19)14-15-8-10-16(24)11-9-15)33-17-6-5-7-18(13-17)34-23(25,26)27/h5-11,13,28H,3-4,12,14H2,1-2H3,(H,29,32)
InChIKeyOKTWPJYVMBPHHM-UHFFFAOYSA-N
MW496.92 g/mol
LogP5.85
Rot. Bonds10

About N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide

N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide (PubChem CID 130445796) has the molecular formula C23H24ClF3N4O3 and a molecular weight of 496.92 g/mol. Its IUPAC name is N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
PubChem CID130445796
Molecular FormulaC23H24ClF3N4O3
Molecular Weight496.92 g/mol
Exact Mass496.15
IUPAC NameN-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
SMILESCCCCNC(=O)c1c(NC)nc(Oc2cccc(OC(F)(F)F)c2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClF3N4O3/c1-3-4-12-29-21(32)19-20(28-2)30-22(31(19)14-15-8-10-16(24)11-9-15)33-17-6-5-7-18(13-17)34-23(25,26)27/h5-11,13,28H,3-4,12,14H2,1-2H3,(H,29,32)
InChIKeyOKTWPJYVMBPHHM-UHFFFAOYSA-N
XLogP5.85
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.92
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)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

Related Compounds

3-[(4-chlorophenyl)methyl]-5-(ethylamino)-N-(3-hydroxypropyl)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
CID 129111876
3-[(4-chlorophenyl)methyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
CID 129111945
3-[(4-chlorophenyl)methyl]-N-(3-hydroxypropyl)-5-(methylamino)-2-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 130445353
3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carbaldehyde
CID 129112600
3-benzyl-N-(3-hydroxypropyl)-5-(methylamino)-2-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]imidazole-4-carboxamide
CID 129113322
3-[(5-chloro-2-pyridinyl)methyl]-N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
CID 129112975
3-[(4-chlorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-(3-methylphenoxy)imidazole-4-carboxamide
CID 129112811
N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
CID 129112985
3-[(4-chlorophenyl)methyl]-5-(ethylamino)-N-(3-hydroxypropyl)-2-(4-propan-2-ylphenoxy)imidazole-4-carboxamide
CID 130445318
3-[(4-chlorophenyl)methyl]-N-formyl-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[3-(trifluoromethyl)phenoxy]imidazole-4-carboxamide
CID 148878189
7-[(4-chlorophenyl)methyl]-1-(4-hydroxybutyl)-3-methyl-8-[3-(trifluoromethoxy)phenoxy]purine-2,6-dione
CID 90403115
methyl 5-bromo-3-[(4-chlorophenyl)methyl]-2-(3-fluorophenoxy)imidazole-4-carboxylate
CID 139478791

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide?
The IUPAC name of N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide (CID 130445796) is N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide.
What is the SMILES notation for N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide?
The canonical SMILES for N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide is CCCCNC(=O)c1c(NC)nc(Oc2cccc(OC(F)(F)F)c2)n1Cc1ccc(Cl)cc1.
What is the InChIKey of N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide?
The InChIKey is OKTWPJYVMBPHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O3/c1-3-4-12-29-21(32)19-20(28-2)30-22(31(19)14-15-8-10-16(24)11-9-15)33-17-6-5-7-18(13-17)34-23(25,26)27/h5-11,13,28H,3-4,12,14H2,1-2H3,(H,29,32).
What are the key properties of N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide?
N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide has a molecular weight of 496.92 g/mol, XLogP of 5.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(4-chlorophenyl)methyl]-5-(methylamino)-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide is sourced from PubChem (CID 130445796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).