3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide

C20H19FN4O2 — CID 17461227

IUPAC3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O2/c21-15-1-5-18(6-2-15)25-14-22-13-19(25)20(26)23-16-3-7-17(8-4-16)24-9-11-27-12-10-24/h1-8,13-14H,9-12H2,(H,23,26)
InChIKeyWCRKOOJACXOWAZ-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.10
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide

3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide (PubChem CID 17461227) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide
PubChem CID17461227
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O2/c21-15-1-5-18(6-2-15)25-14-22-13-19(25)20(26)23-16-3-7-17(8-4-16)24-9-11-27-12-10-24/h1-8,13-14H,9-12H2,(H,23,26)
InChIKeyWCRKOOJACXOWAZ-UHFFFAOYSA-N
XLogP3.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide
CID 51080935
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 55906781
N-(4-fluorophenyl)-6-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 91937276
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2478164
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166105
N-(3-fluoro-4-morpholin-4-ylphenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 56500100

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide (CID 17461227) is 3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide?
The InChIKey is WCRKOOJACXOWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-15-1-5-18(6-2-15)25-14-22-13-19(25)20(26)23-16-3-7-17(8-4-16)24-9-11-27-12-10-24/h1-8,13-14H,9-12H2,(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide?
3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 17461227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).