2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole

C16H21F2N3 — CID 82149978

IUPAC2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole
SMILESCCc1nc2cc(F)c(F)cc2n1CCC1CCCCN1
InChIInChI=1S/C16H21F2N3/c1-2-16-20-14-9-12(17)13(18)10-15(14)21(16)8-6-11-5-3-4-7-19-11/h9-11,19H,2-8H2,1H3
InChIKeyHUNKYANJHMYXNH-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.41
Rot. Bonds4

About 2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole

2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole (PubChem CID 82149978) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole
PubChem CID82149978
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole
SMILESCCc1nc2cc(F)c(F)cc2n1CCC1CCCCN1
InChIInChI=1S/C16H21F2N3/c1-2-16-20-14-9-12(17)13(18)10-15(14)21(16)8-6-11-5-3-4-7-19-11/h9-11,19H,2-8H2,1H3
InChIKeyHUNKYANJHMYXNH-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-methyl-3-(2-piperidin-2-ylethyl)imidazo[4,5-b]pyridine
CID 82151377
5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62217546
5,6-dimethoxy-2-methyl-1-(2-piperidin-2-ylethyl)benzimidazole
CID 82149965
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
5,7-difluoro-1-methyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84639882
5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile
CID 82146074
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide
CID 83967829
2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole
CID 115970770

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole?
The IUPAC name of 2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole (CID 82149978) is 2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole.
What is the SMILES notation for 2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole?
The canonical SMILES for 2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole is CCc1nc2cc(F)c(F)cc2n1CCC1CCCCN1.
What is the InChIKey of 2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole?
The InChIKey is HUNKYANJHMYXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-2-16-20-14-9-12(17)13(18)10-15(14)21(16)8-6-11-5-3-4-7-19-11/h9-11,19H,2-8H2,1H3.
What are the key properties of 2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole?
2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole has a molecular weight of 293.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole is sourced from PubChem (CID 82149978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).