1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea

C13H17FN4O — CID 2813976

IUPAC1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea
SMILESCC1=NCCN1CCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H17FN4O/c1-10-15-6-8-18(10)9-7-16-13(19)17-12-4-2-11(14)3-5-12/h2-5H,6-9H2,1H3,(H2,16,17,19)
InChIKeyWCUVDYOYTOLHPU-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.68
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea

1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea (PubChem CID 2813976) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea
PubChem CID2813976
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea
SMILESCC1=NCCN1CCNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H17FN4O/c1-10-15-6-8-18(10)9-7-16-13(19)17-12-4-2-11(14)3-5-12/h2-5H,6-9H2,1H3,(H2,16,17,19)
InChIKeyWCUVDYOYTOLHPU-UHFFFAOYSA-N
XLogP1.68
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea (CID 2813976) is 1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea is CC1=NCCN1CCNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea?
The InChIKey is WCUVDYOYTOLHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-10-15-6-8-18(10)9-7-16-13(19)17-12-4-2-11(14)3-5-12/h2-5H,6-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea?
1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea has a molecular weight of 264.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 2813976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).