5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one

C21H21ClFN3O2 — CID 21424815

IUPAC5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H21ClFN3O2/c22-16-3-6-18-19(13-16)26(21(28)24-18)12-11-25-9-7-15(8-10-25)20(27)14-1-4-17(23)5-2-14/h1-6,13,15H,7-12H2,(H,24,28)
InChIKeyPWEZIRUFLHZISK-UHFFFAOYSA-N
MW401.87 g/mol
LogP3.72
Rot. Bonds5

About 5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one

5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one (PubChem CID 21424815) has the molecular formula C21H21ClFN3O2 and a molecular weight of 401.87 g/mol. Its IUPAC name is 5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
PubChem CID21424815
Molecular FormulaC21H21ClFN3O2
Molecular Weight401.87 g/mol
Exact Mass401.13
IUPAC Name5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccc(Cl)cc32)CC1
InChIInChI=1S/C21H21ClFN3O2/c22-16-3-6-18-19(13-16)26(21(28)24-18)12-11-25-9-7-15(8-10-25)20(27)14-1-4-17(23)5-2-14/h1-6,13,15H,7-12H2,(H,24,28)
InChIKeyPWEZIRUFLHZISK-UHFFFAOYSA-N
XLogP3.72
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-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

5,6-dichloro-3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 21424827
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1H-quinazoline-2,4-dione;hydrate;hydrochloride
CID 70436834
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-thieno[3,4-d]pyrimidine-2,4-dione
CID 14500398
1-[(3-chlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 18780663
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 14500384
5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
CID 117208472
(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone
CID 142018842
1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 18780682
6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 10895255
1-(4-chlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one
CID 139758784
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 19437850

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one (CID 21424815) is 5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one is O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccc(Cl)cc32)CC1.
What is the InChIKey of 5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one?
The InChIKey is PWEZIRUFLHZISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O2/c22-16-3-6-18-19(13-16)26(21(28)24-18)12-11-25-9-7-15(8-10-25)20(27)14-1-4-17(23)5-2-14/h1-6,13,15H,7-12H2,(H,24,28).
What are the key properties of 5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one?
5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one has a molecular weight of 401.87 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 21424815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).