4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole

C11H12F2N4 — CID 84629087

IUPAC4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole
SMILESFc1cc(F)c2nc(N3CCNCC3)[nH]c2c1
InChIInChI=1S/C11H12F2N4/c12-7-5-8(13)10-9(6-7)15-11(16-10)17-3-1-14-2-4-17/h5-6,14H,1-4H2,(H,15,16)
InChIKeyJYHHEXDQFNHPLH-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.25
Rot. Bonds1

About 4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole

4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole (PubChem CID 84629087) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole
PubChem CID84629087
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole
SMILESFc1cc(F)c2nc(N3CCNCC3)[nH]c2c1
InChIInChI=1S/C11H12F2N4/c12-7-5-8(13)10-9(6-7)15-11(16-10)17-3-1-14-2-4-17/h5-6,14H,1-4H2,(H,15,16)
InChIKeyJYHHEXDQFNHPLH-UHFFFAOYSA-N
XLogP1.25
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-ylmethyl)-4,6-difluoro-1H-benzimidazole
CID 81449105
[(3R,4R)-1-(4,6-difluoro-1H-benzimidazol-2-yl)-4-fluoropiperidin-3-yl] carbamate
CID 175310335
4,6-difluoro-2-iodo-1H-benzimidazole
CID 143699120
2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide
CID 18428097
tert-butyl N-[(3R,4R)-1-(4,6-difluoro-1H-benzimidazol-2-yl)-4-fluoropiperidin-3-yl]carbamate
CID 155154580
6-bromo-2-piperazin-1-yl-1H-benzimidazole
CID 82563523
5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole
CID 82231812
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
CID 94919995
2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole
CID 81462663
1-(2,4-difluorophenyl)piperazine;pyrrolidine
CID 143374840
2-(1,4-diazepan-1-yl)-4-propan-2-yl-1H-benzimidazole
CID 84637470

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole (CID 84629087) is 4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole is Fc1cc(F)c2nc(N3CCNCC3)[nH]c2c1.
What is the InChIKey of 4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole?
The InChIKey is JYHHEXDQFNHPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c12-7-5-8(13)10-9(6-7)15-11(16-10)17-3-1-14-2-4-17/h5-6,14H,1-4H2,(H,15,16).
What are the key properties of 4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole?
4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole has a molecular weight of 238.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole is sourced from PubChem (CID 84629087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).