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

C28H26Cl2FN3O2 — CID 139758792

IUPAC1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one
SMILESCc1cccc2c1n(CCN1CCC(C(=O)c3ccc(F)cc3)CC1)c(=O)n2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H26Cl2FN3O2/c1-18-3-2-4-25-26(18)33(28(36)34(25)22-9-10-23(29)24(30)17-22)16-15-32-13-11-20(12-14-32)27(35)19-5-7-21(31)8-6-19/h2-10,17,20H,11-16H2,1H3
InChIKeySPZIUEAQFRMRGW-UHFFFAOYSA-N
MW526.44 g/mol
LogP6.14
Rot. Bonds6

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

1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one (PubChem CID 139758792) has the molecular formula C28H26Cl2FN3O2 and a molecular weight of 526.44 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one
PubChem CID139758792
Molecular FormulaC28H26Cl2FN3O2
Molecular Weight526.44 g/mol
Exact Mass525.14
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one
SMILESCc1cccc2c1n(CCN1CCC(C(=O)c3ccc(F)cc3)CC1)c(=O)n2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H26Cl2FN3O2/c1-18-3-2-4-25-26(18)33(28(36)34(25)22-9-10-23(29)24(30)17-22)16-15-32-13-11-20(12-14-32)27(35)19-5-7-21(31)8-6-19/h2-10,17,20H,11-16H2,1H3
InChIKeySPZIUEAQFRMRGW-UHFFFAOYSA-N
XLogP6.14
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.44
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one
CID 139758784
4-[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methyl-2-oxobenzimidazol-1-yl]benzonitrile;hydrochloride
CID 139758759
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one;hydrochloride
CID 139758751
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methyl-3-(3-nitrophenyl)benzimidazol-2-one;hydrochloride
CID 139758753
1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 18780682
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
5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 21424815
3-[2-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]ethyl]-1,3-benzothiazol-2-one
CID 19437836
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-[(2-methoxyphenyl)methyl]benzimidazol-2-one
CID 18780670
3-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzonitrile
CID 18780694
5,6-dichloro-3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 21424827

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one (CID 139758792) is 1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one is Cc1cccc2c1n(CCN1CCC(C(=O)c3ccc(F)cc3)CC1)c(=O)n2-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one?
The InChIKey is SPZIUEAQFRMRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2FN3O2/c1-18-3-2-4-25-26(18)33(28(36)34(25)22-9-10-23(29)24(30)17-22)16-15-32-13-11-20(12-14-32)27(35)19-5-7-21(31)8-6-19/h2-10,17,20H,11-16H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one?
1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one has a molecular weight of 526.44 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-methylbenzimidazol-2-one is sourced from PubChem (CID 139758792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).