3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C21H23FN4O — CID 172968300

IUPAC3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CN(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H23FN4O/c22-15-4-3-5-17(12-15)25-13-18(14-25)24-10-8-16(9-11-24)26-20-7-2-1-6-19(20)23-21(26)27/h1-7,12,16,18H,8-11,13-14H2,(H,23,27)
InChIKeyVJDVJIJNUPUPAB-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.99
Rot. Bonds3

About 3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968300) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968300
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CN(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H23FN4O/c22-15-4-3-5-17(12-15)25-13-18(14-25)24-10-8-16(9-11-24)26-20-7-2-1-6-19(20)23-21(26)27/h1-7,12,16,18H,8-11,13-14H2,(H,23,27)
InChIKeyVJDVJIJNUPUPAB-UHFFFAOYSA-N
XLogP2.99
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968300) is 3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C2CN(c3cccc(F)c3)C2)CC1.
What is the InChIKey of 3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is VJDVJIJNUPUPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-15-4-3-5-17(12-15)25-13-18(14-25)24-10-8-16(9-11-24)26-20-7-2-1-6-19(20)23-21(26)27/h1-7,12,16,18H,8-11,13-14H2,(H,23,27).
What are the key properties of 3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 366.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(3-fluorophenyl)azetidin-3-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).