1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea

C15H19FN4O — CID 118790076

IUPAC1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
SMILESCCC(Cn1ccnc1)NC(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C15H19FN4O/c1-3-13(9-20-7-6-17-10-20)18-15(21)19-14-8-12(16)5-4-11(14)2/h4-8,10,13H,3,9H2,1-2H3,(H2,18,19,21)
InChIKeyNNFFYWVJEDOMOG-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.93
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea

1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea (PubChem CID 118790076) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
PubChem CID118790076
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
SMILESCCC(Cn1ccnc1)NC(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C15H19FN4O/c1-3-13(9-20-7-6-17-10-20)18-15(21)19-14-8-12(16)5-4-11(14)2/h4-8,10,13H,3,9H2,1-2H3,(H2,18,19,21)
InChIKeyNNFFYWVJEDOMOG-UHFFFAOYSA-N
XLogP2.93
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide
CID 96573373
1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea
CID 97284208
1-(2,5-difluorophenyl)-3-pentan-3-ylurea
CID 47132779
1-[(2R)-1-imidazol-1-ylbutan-2-yl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea
CID 97446086
N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide
CID 72895830
1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea
CID 97455536
1-(1-imidazol-1-ylbutan-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;2,2,2-trifluoroacetic acid
CID 154887743
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
CID 47032101
1-[(2R)-1-imidazol-1-ylbutan-2-yl]-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 39782327
N-[3-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoylamino]-4-methylphenyl]propanamide
CID 86994529
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea (CID 118790076) is 1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea is CCC(Cn1ccnc1)NC(=O)Nc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea?
The InChIKey is NNFFYWVJEDOMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-3-13(9-20-7-6-17-10-20)18-15(21)19-14-8-12(16)5-4-11(14)2/h4-8,10,13H,3,9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea?
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea has a molecular weight of 290.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea is sourced from PubChem (CID 118790076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).