3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide

C17H21FN4O2 — CID 51080935

IUPAC3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4O2/c1-13(11-21-6-8-24-9-7-21)20-17(23)16-10-19-12-22(16)15-4-2-14(18)3-5-15/h2-5,10,12-13H,6-9,11H2,1H3,(H,20,23)
InChIKeyBXXCYVJQHGCYIG-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.46
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide

3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide (PubChem CID 51080935) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide
PubChem CID51080935
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4O2/c1-13(11-21-6-8-24-9-7-21)20-17(23)16-10-19-12-22(16)15-4-2-14(18)3-5-15/h2-5,10,12-13H,6-9,11H2,1H3,(H,20,23)
InChIKeyBXXCYVJQHGCYIG-UHFFFAOYSA-N
XLogP1.46
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazole-4-carboxamide
CID 17461227
3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
CID 39949661
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide
CID 94026544
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 30969685
N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
CID 119495560
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
3-(4-fluorophenyl)-N-[(3S)-oxan-3-yl]imidazole-4-carboxamide
CID 99816563
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 51931352
1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159932
3-amino-2,6-difluoro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 79760388

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide (CID 51080935) is 3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide is CC(CN1CCOCC1)NC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide?
The InChIKey is BXXCYVJQHGCYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-13(11-21-6-8-24-9-7-21)20-17(23)16-10-19-12-22(16)15-4-2-14(18)3-5-15/h2-5,10,12-13H,6-9,11H2,1H3,(H,20,23).
What are the key properties of 3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide?
3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 51080935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).