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

C16H20FN3 — CID 63134818

IUPAC1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole
SMILESCC1(c2nc3ccc(F)cc3n2C2CC2)CCCNC1
InChIInChI=1S/C16H20FN3/c1-16(7-2-8-18-10-16)15-19-13-6-3-11(17)9-14(13)20(15)12-4-5-12/h3,6,9,12,18H,2,4-5,7-8,10H2,1H3
InChIKeyAGVMUWVLTPNBET-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.15
Rot. Bonds2

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

1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole (PubChem CID 63134818) 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-3-yl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole
PubChem CID63134818
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole
SMILESCC1(c2nc3ccc(F)cc3n2C2CC2)CCCNC1
InChIInChI=1S/C16H20FN3/c1-16(7-2-8-18-10-16)15-19-13-6-3-11(17)9-14(13)20(15)12-4-5-12/h3,6,9,12,18H,2,4-5,7-8,10H2,1H3
InChIKeyAGVMUWVLTPNBET-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-3-yl)benzimidazole?
The IUPAC name of 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole (CID 63134818) is 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole is CC1(c2nc3ccc(F)cc3n2C2CC2)CCCNC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole?
The InChIKey is AGVMUWVLTPNBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-16(7-2-8-18-10-16)15-19-13-6-3-11(17)9-14(13)20(15)12-4-5-12/h3,6,9,12,18H,2,4-5,7-8,10H2,1H3.
What are the key properties of 1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole?
1-cyclopropyl-6-fluoro-2-(3-methylpiperidin-3-yl)benzimidazole has a molecular weight of 273.35 g/mol, XLogP of 3.15, 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-3-yl)benzimidazole is sourced from PubChem (CID 63134818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).