4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide

C26H25FN4O2 — CID 16984537

IUPAC4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCN(C(=O)Cn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C26H25FN4O2/c1-30(21-8-3-2-4-9-21)25(32)18-31-23-11-6-5-10-22(23)29-24(31)12-7-17-28-26(33)19-13-15-20(27)16-14-19/h2-6,8-11,13-16H,7,12,17-18H2,1H3,(H,28,33)
InChIKeyUUFUWVJJAIJRQI-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.20
Rot. Bonds8

About 4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide

4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984537) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16984537
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
SMILESCN(C(=O)Cn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C26H25FN4O2/c1-30(21-8-3-2-4-9-21)25(32)18-31-23-11-6-5-10-22(23)29-24(31)12-7-17-28-26(33)19-13-15-20(27)16-14-19/h2-6,8-11,13-16H,7,12,17-18H2,1H3,(H,28,33)
InChIKeyUUFUWVJJAIJRQI-UHFFFAOYSA-N
XLogP4.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991512
2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide
CID 16981517
2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989568
2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989892
2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16995539
3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977708
(Z)-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 16986199
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984221
4-fluoro-N-[5-(1-propylbenzimidazol-2-yl)pentyl]benzamide
CID 16991699
4-fluoro-N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 751338
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989409
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984403

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide (CID 16984537) is 4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is CN(C(=O)Cn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is UUFUWVJJAIJRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-30(21-8-3-2-4-9-21)25(32)18-31-23-11-6-5-10-22(23)29-24(31)12-7-17-28-26(33)19-13-15-20(27)16-14-19/h2-6,8-11,13-16H,7,12,17-18H2,1H3,(H,28,33).
What are the key properties of 4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide?
4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 444.51 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).