molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

C24H25N3O3S — CID 142409926

IUPACmolecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.[H][H]
InChIInChI=1S/C24H23N3O3S.H2/c28-31(29,21-12-10-20(11-13-21)30-19-6-2-1-3-7-19)27-16-14-18(15-17-27)24-25-22-8-4-5-9-23(22)26-24;/h1-13,18H,14-17H2,(H,25,26);1H
InChIKeyYMOZEQPEGVODLY-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.17
Rot. Bonds5

About molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (PubChem CID 142409926) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Namemolecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
PubChem CID142409926
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Namemolecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.[H][H]
InChIInChI=1S/C24H23N3O3S.H2/c28-31(29,21-12-10-20(11-13-21)30-19-6-2-1-3-7-19)27-16-14-18(15-17-27)24-25-22-8-4-5-9-23(22)26-24;/h1-13,18H,14-17H2,(H,25,26);1H
InChIKeyYMOZEQPEGVODLY-UHFFFAOYSA-N
XLogP5.17
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dichloromethane;N,N-diethylethanamine;4-phenoxybenzenesulfonyl chloride;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole;2-piperidin-4-yl-1H-benzimidazole
CID 160898205
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
2-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582851
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
2-[1-(benzenesulfonyl)azetidin-3-yl]-1H-benzimidazole
CID 90505852
5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 172895773
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylanilino]methylidene]propanedinitrile
CID 168543700
[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 3223538
5-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]furan-2-carbaldehyde
CID 169334306
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582835
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The IUPAC name of molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (CID 142409926) is molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.[H][H].
What is the InChIKey of molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The InChIKey is YMOZEQPEGVODLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S.H2/c28-31(29,21-12-10-20(11-13-21)30-19-6-2-1-3-7-19)27-16-14-18(15-17-27)24-25-22-8-4-5-9-23(22)26-24;/h1-13,18H,14-17H2,(H,25,26);1H.
What are the key properties of molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole has a molecular weight of 435.55 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 142409926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).