1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one

C28H26Cl2FN3O2 — CID 18780682

IUPAC1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)CC1
InChIInChI=1S/C28H26Cl2FN3O2/c29-23-10-5-19(17-24(23)30)18-34-26-4-2-1-3-25(26)33(28(34)36)16-15-32-13-11-21(12-14-32)27(35)20-6-8-22(31)9-7-20/h1-10,17,21H,11-16,18H2
InChIKeyAVLXRRVSBRLSST-UHFFFAOYSA-N
MW526.44 g/mol
LogP5.89
Rot. Bonds7

About 1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one

1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one (PubChem CID 18780682) has the molecular formula C28H26Cl2FN3O2 and a molecular weight of 526.44 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
PubChem CID18780682
Molecular FormulaC28H26Cl2FN3O2
Molecular Weight526.44 g/mol
Exact Mass525.14
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)CC1
InChIInChI=1S/C28H26Cl2FN3O2/c29-23-10-5-19(17-24(23)30)18-34-26-4-2-1-3-25(26)33(28(34)36)16-15-32-13-11-21(12-14-32)27(35)20-6-8-22(31)9-7-20/h1-10,17,21H,11-16,18H2
InChIKeyAVLXRRVSBRLSST-UHFFFAOYSA-N
XLogP5.89
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.44
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one with MolForge

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 18780663
4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide
CID 70256660
3-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzonitrile
CID 18780694
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-[(2-methoxyphenyl)methyl]benzimidazol-2-one
CID 18780670
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-[(2-methoxyphenyl)methyl]benzimidazol-2-one;hydrochloride
CID 18780669
1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one
CID 139758792
3-[2-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethyl]-1,3-benzothiazol-2-one
CID 19437836
5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 21424815
5,6-dichloro-3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 21424827
1-(4-chlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one
CID 139758784
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione
CID 14892172

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one (CID 18780682) is 1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one is O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one?
The InChIKey is AVLXRRVSBRLSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2FN3O2/c29-23-10-5-19(17-24(23)30)18-34-26-4-2-1-3-25(26)33(28(34)36)16-15-32-13-11-21(12-14-32)27(35)20-6-8-22(31)9-7-20/h1-10,17,21H,11-16,18H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one?
1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one has a molecular weight of 526.44 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one is sourced from PubChem (CID 18780682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).