N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide

C24H28FN5O3 — CID 27021666

IUPACN-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCCn1c(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C24H28FN5O3/c1-2-11-29-20-5-3-4-6-21(20)30(24(29)33)17-23(32)28-14-12-27(13-15-28)16-22(31)26-19-9-7-18(25)8-10-19/h3-10H,2,11-17H2,1H3,(H,26,31)
InChIKeyFIGHCNOQFZQCHD-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.13
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 27021666) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID27021666
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCCn1c(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C24H28FN5O3/c1-2-11-29-20-5-3-4-6-21(20)30(24(29)33)17-23(32)28-14-12-27(13-15-28)16-22(31)26-19-9-7-18(25)8-10-19/h3-10H,2,11-17H2,1H3,(H,26,31)
InChIKeyFIGHCNOQFZQCHD-UHFFFAOYSA-N
XLogP2.13
TPSA79.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 27286571
N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55507108
N-(4-fluorophenyl)-2-[4-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 24547635
N-(4-fluorophenyl)-2-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30737327
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 27285530
2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749262
2-[4-[2-(2,6-dimethylanilino)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 78822996
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 52671372
ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
CID 16574565

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide (CID 27021666) is N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide is CCCn1c(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is FIGHCNOQFZQCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-2-11-29-20-5-3-4-6-21(20)30(24(29)33)17-23(32)28-14-12-27(13-15-28)16-22(31)26-19-9-7-18(25)8-10-19/h3-10H,2,11-17H2,1H3,(H,26,31).
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 453.52 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 27021666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).