1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea

C12H12F2N4O — CID 47032101

IUPAC1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
SMILESO=C(NCCn1ccnc1)Nc1cc(F)ccc1F
InChIInChI=1S/C12H12F2N4O/c13-9-1-2-10(14)11(7-9)17-12(19)16-4-6-18-5-3-15-8-18/h1-3,5,7-8H,4,6H2,(H2,16,17,19)
InChIKeySHSFXXRVMUIGBL-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.98
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea

1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea (PubChem CID 47032101) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
PubChem CID47032101
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
SMILESO=C(NCCn1ccnc1)Nc1cc(F)ccc1F
InChIInChI=1S/C12H12F2N4O/c13-9-1-2-10(14)11(7-9)17-12(19)16-4-6-18-5-3-15-8-18/h1-3,5,7-8H,4,6H2,(H2,16,17,19)
InChIKeySHSFXXRVMUIGBL-UHFFFAOYSA-N
XLogP1.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657
1-(4-bromo-2-fluoro-3-methylphenyl)-3-(2-imidazol-1-ylethyl)urea
CID 99840821
4-(2-imidazol-1-ylethylcarbamoylamino)-3-methylbenzoic acid
CID 61461928
3-(2-imidazol-1-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743387
2-hydroxy-5-(2-imidazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461800
1-(2,5-difluorophenyl)-3-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121119455
4-fluoro-N-(2-imidazol-1-ylethyl)-3-sulfanylbenzamide
CID 107024935
6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70711274
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea
CID 122300777
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197
3-[(2,5-difluorophenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid
CID 18550353

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea (CID 47032101) is 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea is O=C(NCCn1ccnc1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea?
The InChIKey is SHSFXXRVMUIGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c13-9-1-2-10(14)11(7-9)17-12(19)16-4-6-18-5-3-15-8-18/h1-3,5,7-8H,4,6H2,(H2,16,17,19).
What are the key properties of 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea?
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea has a molecular weight of 266.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea is sourced from PubChem (CID 47032101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).