N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide

C17H14FN3O — CID 43921399

IUPACN-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H14FN3O/c18-15-3-1-2-4-16(15)20-17(22)14-7-5-13(6-8-14)11-21-10-9-19-12-21/h1-10,12H,11H2,(H,20,22)
InChIKeyLSICILWCXFXXMN-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.32
Rot. Bonds4

About N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide

N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 43921399) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID43921399
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H14FN3O/c18-15-3-1-2-4-16(15)20-17(22)14-7-5-13(6-8-14)11-21-10-9-19-12-21/h1-10,12H,11H2,(H,20,22)
InChIKeyLSICILWCXFXXMN-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38104555
N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38101764
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111565611
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 35323608
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
2-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100672
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
4-(imidazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide
CID 166201634
methyl 3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-4-methoxybenzoate
CID 100539709
N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide
CID 94867844

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide (CID 43921399) is N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide is O=C(Nc1ccccc1F)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is LSICILWCXFXXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-15-3-1-2-4-16(15)20-17(22)14-7-5-13(6-8-14)11-21-10-9-19-12-21/h1-10,12H,11H2,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 295.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 43921399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).