3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide

C20H19F3N4O4 — CID 171566301

IUPAC3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
SMILESCOCCOc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)cc(-n2cncc2CO)c1
InChIInChI=1S/C20H19F3N4O4/c1-30-4-5-31-17-7-13(6-15(9-17)27-12-24-10-16(27)11-28)19(29)26-14-2-3-25-18(8-14)20(21,22)23/h2-3,6-10,12,28H,4-5,11H2,1H3,(H,25,26,29)
InChIKeyXRUBJRJKWHAFGO-UHFFFAOYSA-N
MW436.39 g/mol
LogP3.06
Rot. Bonds8

About 3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide

3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide (PubChem CID 171566301) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
PubChem CID171566301
Molecular FormulaC20H19F3N4O4
Molecular Weight436.39 g/mol
Exact Mass436.14
IUPAC Name3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
SMILESCOCCOc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)cc(-n2cncc2CO)c1
InChIInChI=1S/C20H19F3N4O4/c1-30-4-5-31-17-7-13(6-15(9-17)27-12-24-10-16(27)11-28)19(29)26-14-2-3-25-18(8-14)20(21,22)23/h2-3,6-10,12,28H,4-5,11H2,1H3,(H,25,26,29)
InChIKeyXRUBJRJKWHAFGO-UHFFFAOYSA-N
XLogP3.06
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[3-(2-methoxyethoxy)-5-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]phenyl]imidazole-4-carboxylate
CID 171566284
6-imidazol-1-yl-4-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]pyridine-2-carboxamide
CID 166481283
3-imidazol-1-yl-N-(1H-indazol-5-yl)-5-(2-methoxyethoxy)benzamide
CID 171566281
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 171566330
6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005985
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 61295120
N-[3-[5-[cyano(ethyl)amino]-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 140809737
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide
CID 110444823
2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 163252999
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 24889856

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
The IUPAC name of 3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide (CID 171566301) is 3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide.
What is the SMILES notation for 3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
The canonical SMILES for 3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide is COCCOc1cc(C(=O)Nc2ccnc(C(F)(F)F)c2)cc(-n2cncc2CO)c1.
What is the InChIKey of 3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
The InChIKey is XRUBJRJKWHAFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4/c1-30-4-5-31-17-7-13(6-15(9-17)27-12-24-10-16(27)11-28)19(29)26-14-2-3-25-18(8-14)20(21,22)23/h2-3,6-10,12,28H,4-5,11H2,1H3,(H,25,26,29).
What are the key properties of 3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide has a molecular weight of 436.39 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)imidazol-1-yl]-5-(2-methoxyethoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide is sourced from PubChem (CID 171566301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).