2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole

C16H21F2N3 — CID 82146101

IUPAC2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole
SMILESCCCCc1nc2cc(F)c(F)cc2n1C1CCNCC1
InChIInChI=1S/C16H21F2N3/c1-2-3-4-16-20-14-9-12(17)13(18)10-15(14)21(16)11-5-7-19-8-6-11/h9-11,19H,2-8H2,1H3
InChIKeyGFSFROPSZWYJOF-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.58
Rot. Bonds4

About 2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole

2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole (PubChem CID 82146101) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole.

Molecular Properties

Compound Name2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole
PubChem CID82146101
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole
SMILESCCCCc1nc2cc(F)c(F)cc2n1C1CCNCC1
InChIInChI=1S/C16H21F2N3/c1-2-3-4-16-20-14-9-12(17)13(18)10-15(14)21(16)11-5-7-19-8-6-11/h9-11,19H,2-8H2,1H3
InChIKeyGFSFROPSZWYJOF-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 82146059
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole
CID 94749411
1-cyclopropyl-2-hexylbenzimidazole-5-carbonitrile
CID 114754152
(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
CID 65037611
6-chloro-3-piperidin-4-yl-2-propylimidazo[4,5-b]pyridine
CID 82144465
6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine
CID 62378467
2-(chloromethyl)-1-cyclobutyl-5-fluoro-6-methylbenzimidazole
CID 103593655
2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
CID 118759082
methyl (E)-3-(2-hexyl-1-piperidin-3-ylbenzimidazol-5-yl)prop-2-enoate
CID 53363883
2-cyclobutyl-5,6-difluoro-1-(piperidin-4-ylmethyl)benzimidazole
CID 82149737
6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 115473348

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole?
The IUPAC name of 2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole (CID 82146101) is 2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole.
What is the SMILES notation for 2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole?
The canonical SMILES for 2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole is CCCCc1nc2cc(F)c(F)cc2n1C1CCNCC1.
What is the InChIKey of 2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole?
The InChIKey is GFSFROPSZWYJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-2-3-4-16-20-14-9-12(17)13(18)10-15(14)21(16)11-5-7-19-8-6-11/h9-11,19H,2-8H2,1H3.
What are the key properties of 2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole?
2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole has a molecular weight of 293.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6-difluoro-1-piperidin-4-ylbenzimidazole is sourced from PubChem (CID 82146101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).