[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone

C20H20FN3O — CID 142636383

IUPAC[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone
SMILESO=C(c1nc2c(Cc3ccc(F)cc3)cccc2[nH]1)C1CCNCC1
InChIInChI=1S/C20H20FN3O/c21-16-6-4-13(5-7-16)12-15-2-1-3-17-18(15)24-20(23-17)19(25)14-8-10-22-11-9-14/h1-7,14,22H,8-12H2,(H,23,24)
InChIKeyMQLHYVBJIJSSNW-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.48
Rot. Bonds4

About [4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone

[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone (PubChem CID 142636383) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone
PubChem CID142636383
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone
SMILESO=C(c1nc2c(Cc3ccc(F)cc3)cccc2[nH]1)C1CCNCC1
InChIInChI=1S/C20H20FN3O/c21-16-6-4-13(5-7-16)12-15-2-1-3-17-18(15)24-20(23-17)19(25)14-8-10-22-11-9-14/h1-7,14,22H,8-12H2,(H,23,24)
InChIKeyMQLHYVBJIJSSNW-UHFFFAOYSA-N
XLogP3.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone (CID 142636383) is [4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone is O=C(c1nc2c(Cc3ccc(F)cc3)cccc2[nH]1)C1CCNCC1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone?
The InChIKey is MQLHYVBJIJSSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-16-6-4-13(5-7-16)12-15-2-1-3-17-18(15)24-20(23-17)19(25)14-8-10-22-11-9-14/h1-7,14,22H,8-12H2,(H,23,24).
What are the key properties of [4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone?
[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone has a molecular weight of 337.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 142636383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).