1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea

C12H12F2N4O — CID 10825620

IUPAC1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESO=C(NCCc1cnc[nH]1)Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N4O/c13-8-1-2-11(10(14)5-8)18-12(19)16-4-3-9-6-15-7-17-9/h1-2,5-7H,3-4H2,(H,15,17)(H2,16,18,19)
InChIKeyUDPFKQSIRCMVGB-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.05
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea

1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea (PubChem CID 10825620) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
PubChem CID10825620
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESO=C(NCCc1cnc[nH]1)Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N4O/c13-8-1-2-11(10(14)5-8)18-12(19)16-4-3-9-6-15-7-17-9/h1-2,5-7H,3-4H2,(H,15,17)(H2,16,18,19)
InChIKeyUDPFKQSIRCMVGB-UHFFFAOYSA-N
XLogP2.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231550
3-chloro-4-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 65231714
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
2-hydroxy-3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 104833760
2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
CID 118789686
2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-6-methylbenzoic acid
CID 65231525
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
CID 139185524
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-(2-cyanoethyl)-3-(2,4-difluorophenyl)urea
CID 60676650
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea (CID 10825620) is 1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea is O=C(NCCc1cnc[nH]1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The InChIKey is UDPFKQSIRCMVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c13-8-1-2-11(10(14)5-8)18-12(19)16-4-3-9-6-15-7-17-9/h1-2,5-7H,3-4H2,(H,15,17)(H2,16,18,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea has a molecular weight of 266.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea is sourced from PubChem (CID 10825620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).