4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide

C19H18FN3O — CID 4085689

IUPAC4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
SMILESC=C(C)Cn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H18FN3O/c1-13(2)12-23-17-6-4-3-5-16(17)22-18(23)11-21-19(24)14-7-9-15(20)10-8-14/h3-10H,1,11-12H2,2H3,(H,21,24)
InChIKeyLADNFVOTMGGXRR-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.68
Rot. Bonds5

About 4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide

4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 4085689) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID4085689
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
SMILESC=C(C)Cn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H18FN3O/c1-13(2)12-23-17-6-4-3-5-16(17)22-18(23)11-21-19(24)14-7-9-15(20)10-8-14/h3-10H,1,11-12H2,2H3,(H,21,24)
InChIKeyLADNFVOTMGGXRR-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 751338
4-bromo-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 17009142
4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 2975742
N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029514
4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17008873
N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008981
4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008866
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008872
4-bromo-N-[5-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991539
N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007228
4-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008922
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029492

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide (CID 4085689) is 4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide is C=C(C)Cn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is LADNFVOTMGGXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13(2)12-23-17-6-4-3-5-16(17)22-18(23)11-21-19(24)14-7-9-15(20)10-8-14/h3-10H,1,11-12H2,2H3,(H,21,24).
What are the key properties of 4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide?
4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 323.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 4085689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).