1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea

C16H12F2N4O — CID 12911664

IUPAC1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C16H12F2N4O/c17-11-5-6-13(12(18)9-11)20-16(23)21-14-3-1-2-4-15(14)22-8-7-19-10-22/h1-10H,(H2,20,21,23)
InChIKeyVPCDGKRVLMZSKE-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.79
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea

1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea (PubChem CID 12911664) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea
PubChem CID12911664
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccccc1-n1ccnc1
InChIInChI=1S/C16H12F2N4O/c17-11-5-6-13(12(18)9-11)20-16(23)21-14-3-1-2-4-15(14)22-8-7-19-10-22/h1-10H,(H2,20,21,23)
InChIKeyVPCDGKRVLMZSKE-UHFFFAOYSA-N
XLogP3.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
CID 81257478
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylpyrimidin-5-yl)urea
CID 122300777
1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea
CID 63062599
(5-fluoro-2-imidazol-1-ylphenyl)-phenylmethanone
CID 21497380
N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119844180
1-[2-(2-chloroethyl)phenyl]-3-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]urea
CID 172916328
N-(2-imidazol-1-ylphenyl)-4-methylbenzamide
CID 12911544
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
N-(2-imidazol-1-ylphenyl)-2-methoxybenzamide
CID 12911562
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea (CID 12911664) is 1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1ccccc1-n1ccnc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea?
The InChIKey is VPCDGKRVLMZSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c17-11-5-6-13(12(18)9-11)20-16(23)21-14-3-1-2-4-15(14)22-8-7-19-10-22/h1-10H,(H2,20,21,23).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea?
1-(2,4-difluorophenyl)-3-(2-imidazol-1-ylphenyl)urea has a molecular weight of 314.30 g/mol, XLogP of 3.79, 3 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-imidazol-1-ylphenyl)urea is sourced from PubChem (CID 12911664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).