3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one

C23H29FN4O — CID 165128007

IUPAC3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one
SMILESCCC(C)(CCN1CCN(c2ccc(F)cc2)CC1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C23H29FN4O/c1-3-23(2,28-21-7-5-4-6-20(21)25-22(28)29)12-13-26-14-16-27(17-15-26)19-10-8-18(24)9-11-19/h4-11H,3,12-17H2,1-2H3,(H,25,29)
InChIKeyMPGOPTLJZXUVLL-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.81
Rot. Bonds6

About 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one

3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one (PubChem CID 165128007) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one
PubChem CID165128007
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one
SMILESCCC(C)(CCN1CCN(c2ccc(F)cc2)CC1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C23H29FN4O/c1-3-23(2,28-21-7-5-4-6-20(21)25-22(28)29)12-13-26-14-16-27(17-15-26)19-10-8-18(24)9-11-19/h4-11H,3,12-17H2,1-2H3,(H,25,29)
InChIKeyMPGOPTLJZXUVLL-UHFFFAOYSA-N
XLogP3.81
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one 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

3-(2-methylbutan-2-yl)-1H-benzimidazol-2-one
CID 129212514
5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile
CID 65257938
3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
CID 23369442
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 10597518
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617104
3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46557771
3-[3-[4-(6-fluoro-1H-indazol-3-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one
CID 14823436
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol
CID 115919273
propan-2-yl 2-ethyl-5-[4-[4-(4-fluorophenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 90947905
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 39052113

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one (CID 165128007) is 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one is CCC(C)(CCN1CCN(c2ccc(F)cc2)CC1)n1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one?
The InChIKey is MPGOPTLJZXUVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O/c1-3-23(2,28-21-7-5-4-6-20(21)25-22(28)29)12-13-26-14-16-27(17-15-26)19-10-8-18(24)9-11-19/h4-11H,3,12-17H2,1-2H3,(H,25,29).
What are the key properties of 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one?
3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one has a molecular weight of 396.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylpentan-3-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 165128007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).