N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide

C21H19Cl2F3N4O3 — CID 166010536

IUPACN-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)N(Cc1c(Cl)ccnc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H19Cl2F3N4O3/c1-29-12-27-8-18(29)20(32)30(10-16-17(22)6-7-28-19(16)23)9-14(31)11-33-15-4-2-13(3-5-15)21(24,25)26/h2-8,12,14,31H,9-11H2,1H3
InChIKeyUFCBXPKBNVDSPA-UHFFFAOYSA-N
MW503.31 g/mol
LogP4.22
Rot. Bonds8

About N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide

N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide (PubChem CID 166010536) has the molecular formula C21H19Cl2F3N4O3 and a molecular weight of 503.31 g/mol. Its IUPAC name is N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide
PubChem CID166010536
Molecular FormulaC21H19Cl2F3N4O3
Molecular Weight503.31 g/mol
Exact Mass502.08
IUPAC NameN-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)N(Cc1c(Cl)ccnc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H19Cl2F3N4O3/c1-29-12-27-8-18(29)20(32)30(10-16-17(22)6-7-28-19(16)23)9-14(31)11-33-15-4-2-13(3-5-15)21(24,25)26/h2-8,12,14,31H,9-11H2,1H3
InChIKeyUFCBXPKBNVDSPA-UHFFFAOYSA-N
XLogP4.22
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-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

1-(2-(3-chlorobenzyloxy)-6-methylpyridin-4-yl)-2-methyl-1H-imidazole-4-carboxamide
CID 44409830
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763731
(6-Chloro-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridin-2-yl)(3,3,4-trimethylpiperazin-1-yl)methanone
CID 162763688
Piperazine derivative 1
CID 57662641
2,6-dichloro-N-[[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44524170
1-[2-[4-[2-Chloro-4-(2-hydroxyethoxy)phenyl]-3-(4-chlorophenyl)piperazin-1-yl]ethyl]imidazole-4-carboxamide
CID 76586687
7-[(3-chloro-4-pyridinyl)methyl]-N-(2-phenoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
CID 134807968
N-[(3-chlorophenyl)methyl]-1-methyl-N-[[3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
CID 11952207
2-[3-[3-Chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]ethanol
CID 46234217
2-[5-Chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol
CID 46234534
(2R)-2-[4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,6-dimethylphenoxy]propan-1-ol
CID 46235911
(2S)-2-[5-chloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-fluorophenoxy]propan-1-ol
CID 46236078

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide (CID 166010536) is N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)N(Cc1c(Cl)ccnc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide?
The InChIKey is UFCBXPKBNVDSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2F3N4O3/c1-29-12-27-8-18(29)20(32)30(10-16-17(22)6-7-28-19(16)23)9-14(31)11-33-15-4-2-13(3-5-15)21(24,25)26/h2-8,12,14,31H,9-11H2,1H3.
What are the key properties of N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide?
N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide has a molecular weight of 503.31 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 166010536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).