1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea

C18H16F2N4O — CID 47085409

IUPAC1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
SMILESCc1nccn1-c1ccccc1CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4O/c1-12-21-8-9-24(12)17-5-3-2-4-13(17)11-22-18(25)23-16-7-6-14(19)10-15(16)20/h2-10H,11H2,1H3,(H2,22,23,25)
InChIKeyDRIBAYVKVHUJDW-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.78
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea

1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea (PubChem CID 47085409) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
PubChem CID47085409
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
SMILESCc1nccn1-c1ccccc1CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4O/c1-12-21-8-9-24(12)17-5-3-2-4-13(17)11-22-18(25)23-16-7-6-14(19)10-15(16)20/h2-10H,11H2,1H3,(H2,22,23,25)
InChIKeyDRIBAYVKVHUJDW-UHFFFAOYSA-N
XLogP3.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 94800208
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75374809
1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457941
1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
CID 56818885
4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 38013699
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43908480
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950
1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98849847
4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56720584
5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde
CID 43313022
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea (CID 47085409) is 1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea is Cc1nccn1-c1ccccc1CNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea?
The InChIKey is DRIBAYVKVHUJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-12-21-8-9-24(12)17-5-3-2-4-13(17)11-22-18(25)23-16-7-6-14(19)10-15(16)20/h2-10H,11H2,1H3,(H2,22,23,25).
What are the key properties of 1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea?
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea has a molecular weight of 342.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 47085409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).