1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole

C20H22FN3 — CID 46888857

IUPAC1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole
SMILESCN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1
InChIKeyAXIFLPLKZRNVDP-MRXNPFEDSA-N
MW323.42 g/mol
LogP4.03
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole

1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole (PubChem CID 46888857) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole
PubChem CID46888857
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Name1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole
SMILESCN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1
InChIKeyAXIFLPLKZRNVDP-MRXNPFEDSA-N
XLogP4.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole (CID 46888857) is 1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole is CN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole?
The InChIKey is AXIFLPLKZRNVDP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole?
1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole has a molecular weight of 323.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]benzimidazole is sourced from PubChem (CID 46888857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).