2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole

C18H18FN5O2S — CID 123464651

IUPAC2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole
SMILESC=CS(=O)(=O)N1CCN(c2cc(-c3nc4ccccc4[nH]3)c(F)cn2)CC1
InChIInChI=1S/C18H18FN5O2S/c1-2-27(25,26)24-9-7-23(8-10-24)17-11-13(14(19)12-20-17)18-21-15-5-3-4-6-16(15)22-18/h2-6,11-12H,1,7-10H2,(H,21,22)
InChIKeyNENFTTGYPFNJTJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.36
Rot. Bonds4

About 2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole

2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole (PubChem CID 123464651) has the molecular formula C18H18FN5O2S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole
PubChem CID123464651
Molecular FormulaC18H18FN5O2S
Molecular Weight387.44 g/mol
Exact Mass387.12
IUPAC Name2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole
SMILESC=CS(=O)(=O)N1CCN(c2cc(-c3nc4ccccc4[nH]3)c(F)cn2)CC1
InChIInChI=1S/C18H18FN5O2S/c1-2-27(25,26)24-9-7-23(8-10-24)17-11-13(14(19)12-20-17)18-21-15-5-3-4-6-16(15)22-18/h2-6,11-12H,1,7-10H2,(H,21,22)
InChIKeyNENFTTGYPFNJTJ-UHFFFAOYSA-N
XLogP2.36
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 123829889
4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazine-1-carboxamide
CID 123643221
4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide
CID 123606914
3-[4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazin-1-yl]thiolane 1-oxide
CID 123872023
1-[4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 123671232
2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole
CID 17448653
8-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 123944758
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
8-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decane
CID 123644264
N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide
CID 123557081
7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 123520438
[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 123421115

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole (CID 123464651) is 2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole is C=CS(=O)(=O)N1CCN(c2cc(-c3nc4ccccc4[nH]3)c(F)cn2)CC1.
What is the InChIKey of 2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole?
The InChIKey is NENFTTGYPFNJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2S/c1-2-27(25,26)24-9-7-23(8-10-24)17-11-13(14(19)12-20-17)18-21-15-5-3-4-6-16(15)22-18/h2-6,11-12H,1,7-10H2,(H,21,22).
What are the key properties of 2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole?
2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole has a molecular weight of 387.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 123464651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).