1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one

C25H28FN5O — CID 23647078

IUPAC1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)ccc21
InChIInChI=1S/C25H28FN5O/c1-3-29-21-10-7-18(15-22(21)30(4-2)25(29)32)24-23(17-5-8-19(26)9-6-17)28-16-31(24)20-11-13-27-14-12-20/h5-10,15-16,20,27H,3-4,11-14H2,1-2H3
InChIKeyALSLBGMJJSQHNV-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.44
Rot. Bonds5

About 1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one

1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one (PubChem CID 23647078) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is 1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one
PubChem CID23647078
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)ccc21
InChIInChI=1S/C25H28FN5O/c1-3-29-21-10-7-18(15-22(21)30(4-2)25(29)32)24-23(17-5-8-19(26)9-6-17)28-16-31(24)20-11-13-27-14-12-20/h5-10,15-16,20,27H,3-4,11-14H2,1-2H3
InChIKeyALSLBGMJJSQHNV-UHFFFAOYSA-N
XLogP4.44
TPSA56.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]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

Tecastemizole
CID 123618
2-Amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8H)-yl)ethanone
CID 49856296
Azd-1386
CID 23633673
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329407
5-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyridin-2-one
CID 5329408
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2-dihydropyridin-2-one
CID 5329409
4-(1-phenyl-1H-1,3-benzodiazol-5-yl)-1-[3-(piperidin-1-yl)propyl]-1,2-dihydropyrimidin-2-one
CID 5329411
3-ethyl-1-[6-fluoro-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365985
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 22063896
1,3-Diethyl-5-(5-m-tolyl-3H-imidazol-4-yl)-1,3-dihydro-benzoimidazol-2-one
CID 22063936
1,3-diethyl-5-[4-(4-fluorophenyl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581385
1,3-diethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581392

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one?
The IUPAC name of 1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one (CID 23647078) is 1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one is CCn1c(=O)n(CC)c2cc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)ccc21.
What is the InChIKey of 1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one?
The InChIKey is ALSLBGMJJSQHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O/c1-3-29-21-10-7-18(15-22(21)30(4-2)25(29)32)24-23(17-5-8-19(26)9-6-17)28-16-31(24)20-11-13-27-14-12-20/h5-10,15-16,20,27H,3-4,11-14H2,1-2H3.
What are the key properties of 1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one?
1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one has a molecular weight of 433.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]benzimidazol-2-one is sourced from PubChem (CID 23647078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).