2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole

C17H21F2N3 — CID 82149737

IUPAC2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole
SMILESFc1cc2nc(C3CCC3)n(CC3CCNCC3)c2cc1F
InChIInChI=1S/C17H21F2N3/c18-13-8-15-16(9-14(13)19)22(10-11-4-6-20-7-5-11)17(21-15)12-2-1-3-12/h8-9,11-12,20H,1-7,10H2
InChIKeyVYKLIRSBIQOGFA-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.58
Rot. Bonds3

About 2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole

2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole (PubChem CID 82149737) has the molecular formula C17H21F2N3 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole
PubChem CID82149737
Molecular FormulaC17H21F2N3
Molecular Weight305.37 g/mol
Exact Mass305.17
IUPAC Name2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole
SMILESFc1cc2nc(C3CCC3)n(CC3CCNCC3)c2cc1F
InChIInChI=1S/C17H21F2N3/c18-13-8-15-16(9-14(13)19)22(10-11-4-6-20-7-5-11)17(21-15)12-2-1-3-12/h8-9,11-12,20H,1-7,10H2
InChIKeyVYKLIRSBIQOGFA-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine
CID 82146331
2-cyclobutyl-5,6-dimethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149774
2-(2-cyclohexyl-5,6-difluorobenzimidazol-1-yl)acetonitrile
CID 82146172
2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine
CID 82146329
2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde
CID 89345103
2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine
CID 82146150
6-methyl-7-(piperidin-4-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazole
CID 82149708
5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149802
5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 82146059
5-bromo-2-(chloromethyl)-1-(cyclobutylmethyl)-6-fluorobenzimidazole
CID 66088881
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
CID 82332332
5,6-dichloro-2-piperidin-4-yl-1-(pyridin-4-ylmethyl)benzimidazole
CID 508380

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole?
The IUPAC name of 2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole (CID 82149737) is 2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole?
The canonical SMILES for 2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole is Fc1cc2nc(C3CCC3)n(CC3CCNCC3)c2cc1F.
What is the InChIKey of 2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole?
The InChIKey is VYKLIRSBIQOGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3/c18-13-8-15-16(9-14(13)19)22(10-11-4-6-20-7-5-11)17(21-15)12-2-1-3-12/h8-9,11-12,20H,1-7,10H2.
What are the key properties of 2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole?
2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole has a molecular weight of 305.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 82149737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).