2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole

C17H16F2N4 — CID 133410828

IUPAC2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole
SMILESFc1ccc(F)c(N2CCN(c3nc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C17H16F2N4/c18-12-5-6-13(19)16(11-12)22-7-9-23(10-8-22)17-20-14-3-1-2-4-15(14)21-17/h1-6,11H,7-10H2,(H,20,21)
InChIKeySGANVLRRMLHUNC-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.17
Rot. Bonds2

About 2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole

2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole (PubChem CID 133410828) has the molecular formula C17H16F2N4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole
PubChem CID133410828
Molecular FormulaC17H16F2N4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole
SMILESFc1ccc(F)c(N2CCN(c3nc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C17H16F2N4/c18-12-5-6-13(19)16(11-12)22-7-9-23(10-8-22)17-20-14-3-1-2-4-15(14)21-17/h1-6,11H,7-10H2,(H,20,21)
InChIKeySGANVLRRMLHUNC-UHFFFAOYSA-N
XLogP3.17
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(2,4-difluorophenyl)ethyl]-1,4-diazepan-1-yl]-1H-benzimidazole
CID 86892522
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
CID 168555198
1-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 122176153
4-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenyl)morpholine
CID 139009416
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381
2-[4-(2-chloroethyl)piperazin-1-yl]-1H-benzimidazole
CID 63392230
2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 133410073
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methanone
CID 86949207

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole (CID 133410828) is 2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole is Fc1ccc(F)c(N2CCN(c3nc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole?
The InChIKey is SGANVLRRMLHUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4/c18-12-5-6-13(19)16(11-12)22-7-9-23(10-8-22)17-20-14-3-1-2-4-15(14)21-17/h1-6,11H,7-10H2,(H,20,21).
What are the key properties of 2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole?
2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole has a molecular weight of 314.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 133410828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).