N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide

C16H20FN3O — CID 51331957

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC(c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C16H20FN3O/c1-4-11(2)16(21)19-14(15-18-9-10-20(15)3)12-5-7-13(17)8-6-12/h5-11,14H,4H2,1-3H3,(H,19,21)
InChIKeyFXQJJEIBCGSPOJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.81
Rot. Bonds5

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide (PubChem CID 51331957) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
PubChem CID51331957
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC(c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C16H20FN3O/c1-4-11(2)16(21)19-14(15-18-9-10-20(15)3)12-5-7-13(17)8-6-12/h5-11,14H,4H2,1-3H3,(H,19,21)
InChIKeyFXQJJEIBCGSPOJ-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
(2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide
CID 25344752
(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 25369016
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
1-(2,4-difluorophenyl)-3-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390775
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
1-(2,4-difluorophenyl)-3-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390773
N-[1-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 42922981
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide (CID 51331957) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide is CCC(C)C(=O)NC(c1ccc(F)cc1)c1nccn1C.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide?
The InChIKey is FXQJJEIBCGSPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-11(2)16(21)19-14(15-18-9-10-20(15)3)12-5-7-13(17)8-6-12/h5-11,14H,4H2,1-3H3,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide has a molecular weight of 289.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 51331957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).