4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole

C13H16FN3 — CID 84796160

IUPAC4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
SMILESCc1nc2c(F)cccc2n1C1CCNCC1
InChIInChI=1S/C13H16FN3/c1-9-16-13-11(14)3-2-4-12(13)17(9)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3
InChIKeyGEGGNKRQFVGAKU-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.41
Rot. Bonds1

About 4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole

4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole (PubChem CID 84796160) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
PubChem CID84796160
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
SMILESCc1nc2c(F)cccc2n1C1CCNCC1
InChIInChI=1S/C13H16FN3/c1-9-16-13-11(14)3-2-4-12(13)17(9)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3
InChIKeyGEGGNKRQFVGAKU-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole
CID 84786770
4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
CID 84796902
7-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 83418423
2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole
CID 84796157
5,6-difluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 82146059
1-cyclopropyl-2-(4-ethylpiperidin-4-yl)-4-fluorobenzimidazole
CID 63125197
4-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793880
2-bromo-1-cyclobutyl-4-fluorobenzimidazole
CID 84808519
(1-cyclopropyl-4-fluorobenzimidazol-2-yl)methanol
CID 63756402
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-6-methylaniline
CID 60785396
1-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)-N-methylmethanamine
CID 60785108
4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
CID 63870568

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole?
The IUPAC name of 4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole (CID 84796160) is 4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole.
What is the SMILES notation for 4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole?
The canonical SMILES for 4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole is Cc1nc2c(F)cccc2n1C1CCNCC1.
What is the InChIKey of 4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole?
The InChIKey is GEGGNKRQFVGAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-16-13-11(14)3-2-4-12(13)17(9)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3.
What are the key properties of 4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole?
4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole has a molecular weight of 233.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole is sourced from PubChem (CID 84796160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).