3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea

C18H16F2N4O — CID 166194769

IUPAC3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
SMILESCN(C(=O)NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N4O/c1-23(15-5-3-14(19)4-6-15)18(25)22-11-13-2-7-17(16(20)10-13)24-9-8-21-12-24/h2-10,12H,11H2,1H3,(H,22,25)
InChIKeyLKZWMMILVXZNFY-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.50
Rot. Bonds4

About 3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea

3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea (PubChem CID 166194769) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
PubChem CID166194769
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
SMILESCN(C(=O)NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N4O/c1-23(15-5-3-14(19)4-6-15)18(25)22-11-13-2-7-17(16(20)10-13)24-9-8-21-12-24/h2-10,12H,11H2,1H3,(H,22,25)
InChIKeyLKZWMMILVXZNFY-UHFFFAOYSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-methylurea
CID 136521324
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400
1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 49127727
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47737555
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86843766
3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 47799517
(2R,4S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124703470
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47737914

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea?
The IUPAC name of 3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea (CID 166194769) is 3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea.
What is the SMILES notation for 3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea?
The canonical SMILES for 3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea is CN(C(=O)NCc1ccc(-n2ccnc2)c(F)c1)c1ccc(F)cc1.
What is the InChIKey of 3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea?
The InChIKey is LKZWMMILVXZNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-23(15-5-3-14(19)4-6-15)18(25)22-11-13-2-7-17(16(20)10-13)24-9-8-21-12-24/h2-10,12H,11H2,1H3,(H,22,25).
What are the key properties of 3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea?
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea has a molecular weight of 342.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea is sourced from PubChem (CID 166194769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).