1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

C23H24FN5O — CID 126858259

IUPAC1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(CCn2cnc3cc(F)ccc32)CC1
InChIInChI=1S/C23H24FN5O/c24-18-5-6-22-21(14-18)26-16-29(22)12-9-27-7-10-28(11-8-27)23(30)13-17-15-25-20-4-2-1-3-19(17)20/h1-6,14-16,25H,7-13H2
InChIKeyRCWVRVXIBGIVJZ-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.04
Rot. Bonds5

About 1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 126858259) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID126858259
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(CCn2cnc3cc(F)ccc32)CC1
InChIInChI=1S/C23H24FN5O/c24-18-5-6-22-21(14-18)26-16-29(22)12-9-27-7-10-28(11-8-27)23(30)13-17-15-25-20-4-2-1-3-19(17)20/h1-6,14-16,25H,7-13H2
InChIKeyRCWVRVXIBGIVJZ-UHFFFAOYSA-N
XLogP3.04
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 90561493
3-(2-hydroxyethyl)-7-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126898563
[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 126858225
3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 110398604
2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110700238
[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 126858222
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687
N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 51263125
1-[4-[1-(2-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55809909
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 126858259) is 1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCN(CCn2cnc3cc(F)ccc32)CC1.
What is the InChIKey of 1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is RCWVRVXIBGIVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-18-5-6-22-21(14-18)26-16-29(22)12-9-27-7-10-28(11-8-27)23(30)13-17-15-25-20-4-2-1-3-19(17)20/h1-6,14-16,25H,7-13H2.
What are the key properties of 1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 405.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 126858259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).