1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole

C16H20FN3 — CID 107070503

IUPAC1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
SMILESCC1CCCNC1c1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C16H20FN3/c1-10-3-2-8-18-15(10)16-19-13-7-4-11(17)9-14(13)20(16)12-5-6-12/h4,7,9-10,12,15,18H,2-3,5-6,8H2,1H3
InChIKeyQVFLSZIXXFZPMR-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.57
Rot. Bonds2

About 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole

1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole (PubChem CID 107070503) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
PubChem CID107070503
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
SMILESCC1CCCNC1c1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C16H20FN3/c1-10-3-2-8-18-15(10)16-19-13-7-4-11(17)9-14(13)20(16)12-5-6-12/h4,7,9-10,12,15,18H,2-3,5-6,8H2,1H3
InChIKeyQVFLSZIXXFZPMR-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole?
The IUPAC name of 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole (CID 107070503) is 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole is CC1CCCNC1c1nc2ccc(F)cc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole?
The InChIKey is QVFLSZIXXFZPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-10-3-2-8-18-15(10)16-19-13-7-4-11(17)9-14(13)20(16)12-5-6-12/h4,7,9-10,12,15,18H,2-3,5-6,8H2,1H3.
What are the key properties of 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole?
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole has a molecular weight of 273.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole is sourced from PubChem (CID 107070503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).