5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole

C17H24FN3 — CID 82332332

IUPAC5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
SMILESCCCCCn1c(C2CCNCC2)nc2cc(F)ccc21
InChIInChI=1S/C17H24FN3/c1-2-3-4-11-21-16-6-5-14(18)12-15(16)20-17(21)13-7-9-19-10-8-13/h5-6,12-13,19H,2-4,7-11H2,1H3
InChIKeyQRSFVEIUOPSAGX-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.83
Rot. Bonds5

About 5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole

5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole (PubChem CID 82332332) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole.

Molecular Properties

Compound Name5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
PubChem CID82332332
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
SMILESCCCCCn1c(C2CCNCC2)nc2cc(F)ccc21
InChIInChI=1S/C17H24FN3/c1-2-3-4-11-21-16-6-5-14(18)12-15(16)20-17(21)13-7-9-19-10-8-13/h5-6,12-13,19H,2-4,7-11H2,1H3
InChIKeyQRSFVEIUOPSAGX-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743
2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 84818178
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
CID 134083858
1-hexyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 82333331
4-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclohexan-1-amine
CID 60810395
1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole
CID 82335125
1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
6-fluoro-2-(2-methylpiperidin-4-yl)-1-propylbenzimidazole
CID 106742811
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
2-(2-cyclobutyl-5-fluorobenzimidazol-1-yl)acetic acid
CID 124926342
1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889124
1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070471

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole?
The IUPAC name of 5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole (CID 82332332) is 5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole.
What is the SMILES notation for 5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole?
The canonical SMILES for 5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole is CCCCCn1c(C2CCNCC2)nc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole?
The InChIKey is QRSFVEIUOPSAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-2-3-4-11-21-16-6-5-14(18)12-15(16)20-17(21)13-7-9-19-10-8-13/h5-6,12-13,19H,2-4,7-11H2,1H3.
What are the key properties of 5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole?
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole has a molecular weight of 289.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole is sourced from PubChem (CID 82332332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).