3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide

C19H18FN3O — CID 37424570

IUPAC3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1F
InChIInChI=1S/C19H18FN3O/c1-14-2-7-17(10-18(14)20)19(24)22-11-15-3-5-16(6-4-15)12-23-9-8-21-13-23/h2-10,13H,11-12H2,1H3,(H,22,24)
InChIKeyOKYJQQKSKXICJS-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.31
Rot. Bonds5

About 3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide

3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide (PubChem CID 37424570) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
PubChem CID37424570
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1F
InChIInChI=1S/C19H18FN3O/c1-14-2-7-17(10-18(14)20)19(24)22-11-15-3-5-16(6-4-15)12-23-9-8-21-13-23/h2-10,13H,11-12H2,1H3,(H,22,24)
InChIKeyOKYJQQKSKXICJS-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methylphenyl)methyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111846534
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564
3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 35859565
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-nitrobenzamide
CID 37426924
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907094

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide (CID 37424570) is 3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1F.
What is the InChIKey of 3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide?
The InChIKey is OKYJQQKSKXICJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-14-2-7-17(10-18(14)20)19(24)22-11-15-3-5-16(6-4-15)12-23-9-8-21-13-23/h2-10,13H,11-12H2,1H3,(H,22,24).
What are the key properties of 3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide?
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide has a molecular weight of 323.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 37424570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).