4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide

C18H16FN3O — CID 2975742

IUPAC4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
SMILESC=CCn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C18H16FN3O/c1-2-11-22-16-6-4-3-5-15(16)21-17(22)12-20-18(23)13-7-9-14(19)10-8-13/h2-10H,1,11-12H2,(H,20,23)
InChIKeySEQVFLZSGJFBTM-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.29
Rot. Bonds5

About 4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide

4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 2975742) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
PubChem CID2975742
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
SMILESC=CCn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C18H16FN3O/c1-2-11-22-16-6-4-3-5-15(16)21-17(22)12-20-18(23)13-7-9-14(19)10-8-13/h2-10H,1,11-12H2,(H,20,23)
InChIKeySEQVFLZSGJFBTM-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.29
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-fluoro-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008938
4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751224
4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17008873
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008872
2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide
CID 17006187
4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751332
4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008866
N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029514
N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008981
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788
4-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008922

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide (CID 2975742) is 4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide is C=CCn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is SEQVFLZSGJFBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-2-11-22-16-6-4-3-5-15(16)21-17(22)12-20-18(23)13-7-9-14(19)10-8-13/h2-10H,1,11-12H2,(H,20,23).
What are the key properties of 4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?
4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 309.34 g/mol, XLogP of 3.29, 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-prop-2-enylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 2975742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).