1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole

C14H15F4N3 — CID 141100460

IUPAC1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole
SMILESCCN1CCCC(n2cnc3c(F)c(F)c(F)c(F)c32)C1
InChIInChI=1S/C14H15F4N3/c1-2-20-5-3-4-8(6-20)21-7-19-13-11(17)9(15)10(16)12(18)14(13)21/h7-8H,2-6H2,1H3
InChIKeyREODPFPZTMYKDY-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.25
Rot. Bonds2

About 1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole

1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole (PubChem CID 141100460) has the molecular formula C14H15F4N3 and a molecular weight of 301.29 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole
PubChem CID141100460
Molecular FormulaC14H15F4N3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole
SMILESCCN1CCCC(n2cnc3c(F)c(F)c(F)c(F)c32)C1
InChIInChI=1S/C14H15F4N3/c1-2-20-5-3-4-8(6-20)21-7-19-13-11(17)9(15)10(16)12(18)14(13)21/h7-8H,2-6H2,1H3
InChIKeyREODPFPZTMYKDY-UHFFFAOYSA-N
XLogP3.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol
CID 114704740
N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66149040
2-(chloromethyl)-1-(1-ethylpiperidin-3-yl)-6,7-difluorobenzimidazole
CID 62533906
2-(1-ethylpiperidin-3-yl)-5-fluoroindazole-7-carboxamide
CID 24968124
(E)-3-[3-[1-[(3R)-1-ethylpiperidin-3-yl]-4,5,6,7-tetrafluorobenzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 87768732
2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]morpholine
CID 114718728
1-ethyl-3-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
CID 146043336
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 66162353
N-(1-ethylpiperidin-3-yl)-5-fluoropyridin-2-amine
CID 61313341
1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane
CID 64942661
3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-amine
CID 79289515
4-chloro-1-(1-ethylpiperidin-3-yl)pyrrole-2-carboxylic acid
CID 114604375

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole (CID 141100460) is 1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole is CCN1CCCC(n2cnc3c(F)c(F)c(F)c(F)c32)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole?
The InChIKey is REODPFPZTMYKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3/c1-2-20-5-3-4-8(6-20)21-7-19-13-11(17)9(15)10(16)12(18)14(13)21/h7-8H,2-6H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole?
1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole has a molecular weight of 301.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrafluorobenzimidazole is sourced from PubChem (CID 141100460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).