4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide

C24H22FN3O — CID 17008873

IUPAC4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1CCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H22FN3O/c25-20-14-12-19(13-15-20)24(29)26-17-23-27-21-10-4-5-11-22(21)28(23)16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-15H,6,9,16-17H2,(H,26,29)
InChIKeySFFYNWHLHBCYIL-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.74
Rot. Bonds7

About 4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide

4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008873) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17008873
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1CCCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H22FN3O/c25-20-14-12-19(13-15-20)24(29)26-17-23-27-21-10-4-5-11-22(21)28(23)16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-15H,6,9,16-17H2,(H,26,29)
InChIKeySFFYNWHLHBCYIL-UHFFFAOYSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 4085689
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935
4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 2975742
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
4-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984758
4-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008922
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008872
4-fluoro-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008938
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-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide (CID 17008873) is 4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide is O=C(NCc1nc2ccccc2n1CCCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is SFFYNWHLHBCYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c25-20-14-12-19(13-15-20)24(29)26-17-23-27-21-10-4-5-11-22(21)28(23)16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-15H,6,9,16-17H2,(H,26,29).
What are the key properties of 4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide?
4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).