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

C20H20FN3O — CID 751338

IUPAC4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
SMILESC=C(C)Cn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C20H20FN3O/c1-14(2)13-24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(25)15-7-9-16(21)10-8-15/h3-10H,1,11-13H2,2H3,(H,22,25)
InChIKeyPIJWXNZOLIZISK-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.72
Rot. Bonds6

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

4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 751338) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID751338
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
SMILESC=C(C)Cn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C20H20FN3O/c1-14(2)13-24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(25)15-7-9-16(21)10-8-15/h3-10H,1,11-13H2,2H3,(H,22,25)
InChIKeyPIJWXNZOLIZISK-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 4085689
4-bromo-N-[5-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991539
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977299
4-bromo-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 17009142
4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984537
4-fluoro-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991699
2,4-dimethyl-N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]benzamide
CID 16982506
4-bromo-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977560
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16974140
4-methyl-N-[2-[1-[2-oxo-2-(propylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030844
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977369
4-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 5066130

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide (CID 751338) is 4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide is C=C(C)Cn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is PIJWXNZOLIZISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14(2)13-24-18-6-4-3-5-17(18)23-19(24)11-12-22-20(25)15-7-9-16(21)10-8-15/h3-10H,1,11-13H2,2H3,(H,22,25).
What are the key properties of 4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide?
4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 337.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 751338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).