4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole

C14H17F2N3 — CID 81448869

IUPAC4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole
SMILESFc1cc(F)c2nc(CCC3CCCNC3)[nH]c2c1
InChIInChI=1S/C14H17F2N3/c15-10-6-11(16)14-12(7-10)18-13(19-14)4-3-9-2-1-5-17-8-9/h6-7,9,17H,1-5,8H2,(H,18,19)
InChIKeyNJFMTNSCZBVQSN-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.77
Rot. Bonds3

About 4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole

4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole (PubChem CID 81448869) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole
PubChem CID81448869
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole
SMILESFc1cc(F)c2nc(CCC3CCCNC3)[nH]c2c1
InChIInChI=1S/C14H17F2N3/c15-10-6-11(16)14-12(7-10)18-13(19-14)4-3-9-2-1-5-17-8-9/h6-7,9,17H,1-5,8H2,(H,18,19)
InChIKeyNJFMTNSCZBVQSN-UHFFFAOYSA-N
XLogP2.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole
CID 81462840
N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine
CID 81449443
2-(1,4-diazepan-1-ylmethyl)-4,6-difluoro-1H-benzimidazole
CID 81449105
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
N,N-dimethyl-2-(2-piperidin-3-ylethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79815431
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
CID 94919995
3-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 84732247
2-(2-cyclopentylethyl)-4,6-dimethyl-1H-benzimidazole
CID 82947663
2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole
CID 82947050
2-[(4-chlorophenoxy)methyl]-4,5-dimethyl-6-(3-piperidin-3-ylpropyl)-1H-benzimidazole
CID 67623419
2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
CID 84791352

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole (CID 81448869) is 4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole is Fc1cc(F)c2nc(CCC3CCCNC3)[nH]c2c1.
What is the InChIKey of 4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole?
The InChIKey is NJFMTNSCZBVQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c15-10-6-11(16)14-12(7-10)18-13(19-14)4-3-9-2-1-5-17-8-9/h6-7,9,17H,1-5,8H2,(H,18,19).
What are the key properties of 4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole?
4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole has a molecular weight of 265.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole is sourced from PubChem (CID 81448869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).