3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide

C23H26FN5O2 — CID 78889836

IUPAC3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN5O2/c24-18-5-7-19(8-6-18)27-13-15-28(16-14-27)23(31)9-11-25-22(30)10-12-29-17-26-20-3-1-2-4-21(20)29/h1-8,17H,9-16H2,(H,25,30)
InChIKeyDCGBZORAXVYQSY-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.42
Rot. Bonds7

About 3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide

3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide (PubChem CID 78889836) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide
PubChem CID78889836
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN5O2/c24-18-5-7-19(8-6-18)27-13-15-28(16-14-27)23(31)9-11-25-22(30)10-12-29-17-26-20-3-1-2-4-21(20)29/h1-8,17H,9-16H2,(H,25,30)
InChIKeyDCGBZORAXVYQSY-UHFFFAOYSA-N
XLogP2.42
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954
3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 45252749
N'-[2-(benzimidazol-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119118212
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
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N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786
3-(benzimidazol-1-yl)-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119619800
3-(benzimidazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 77092597
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride
CID 119858817
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 8967289
3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 40708470
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide (CID 78889836) is 3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide is O=C(CCn1cnc2ccccc21)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide?
The InChIKey is DCGBZORAXVYQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-18-5-7-19(8-6-18)27-13-15-28(16-14-27)23(31)9-11-25-22(30)10-12-29-17-26-20-3-1-2-4-21(20)29/h1-8,17H,9-16H2,(H,25,30).
What are the key properties of 3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide?
3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide has a molecular weight of 423.49 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide is sourced from PubChem (CID 78889836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).