6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole

C13H18FN3 — CID 143792274

IUPAC6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole
SMILESCC12C=C(F)C=CC1N=C(C1CCNCC1)N2
InChIInChI=1S/C13H18FN3/c1-13-8-10(14)2-3-11(13)16-12(17-13)9-4-6-15-7-5-9/h2-3,8-9,11,15H,4-7H2,1H3,(H,16,17)
InChIKeyAJWKCORWJPZQOX-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.54
Rot. Bonds1

About 6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole

6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole (PubChem CID 143792274) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole.

Molecular Properties

Compound Name6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole
PubChem CID143792274
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole
SMILESCC12C=C(F)C=CC1N=C(C1CCNCC1)N2
InChIInChI=1S/C13H18FN3/c1-13-8-10(14)2-3-11(13)16-12(17-13)9-4-6-15-7-5-9/h2-3,8-9,11,15H,4-7H2,1H3,(H,16,17)
InChIKeyAJWKCORWJPZQOX-UHFFFAOYSA-N
XLogP1.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(6-fluoro-3a,7a-dihydro-1H-benzimidazol-2-yl)-2,2-dimethylpropan-1-amine
CID 71027331
CID 174047425
CID 174047425
2-piperidin-4-yl-3a,4-dihydro-1H-benzimidazole
CID 70988964
3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine
CID 70988985
1,5-Dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
CID 123789944
3a-Methyl-2-piperidin-4-yl-3,7a-dihydrobenzimidazole-5-carbonitrile
CID 163618831

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole?
The IUPAC name of 6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole (CID 143792274) is 6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole.
What is the SMILES notation for 6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole?
The canonical SMILES for 6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole is CC12C=C(F)C=CC1N=C(C1CCNCC1)N2.
What is the InChIKey of 6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole?
The InChIKey is AJWKCORWJPZQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-13-8-10(14)2-3-11(13)16-12(17-13)9-4-6-15-7-5-9/h2-3,8-9,11,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole?
6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole has a molecular weight of 235.31 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7a-methyl-2-piperidin-4-yl-1,3a-dihydrobenzimidazole is sourced from PubChem (CID 143792274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).