2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

C18H15F2N3O — CID 35858985

IUPAC2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O/c19-15-5-6-16(17(20)9-15)18(24)22-10-13-1-3-14(4-2-13)11-23-8-7-21-12-23/h1-9,12H,10-11H2,(H,22,24)
InChIKeyVFLGPTJRPIHLHE-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.14
Rot. Bonds5

About 2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 35858985) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID35858985
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H15F2N3O/c19-15-5-6-16(17(20)9-15)18(24)22-10-13-1-3-14(4-2-13)11-23-8-7-21-12-23/h1-9,12H,10-11H2,(H,22,24)
InChIKeyVFLGPTJRPIHLHE-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55601134
2-(2,4-difluorophenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31987382
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 34906914
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
1-(3-fluorophenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 37423053
1-[(2,5-difluorophenyl)methyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111902398
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37424854
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 37423988
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (CID 35858985) is 2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is VFLGPTJRPIHLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c19-15-5-6-16(17(20)9-15)18(24)22-10-13-1-3-14(4-2-13)11-23-8-7-21-12-23/h1-9,12H,10-11H2,(H,22,24).
What are the key properties of 2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 35858985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).