3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one

C22H26FN3O2 — CID 123570226

IUPAC3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one
SMILESO=C(CCCN1CCC(n2c(=O)[nH]c3c2=CCCC=3)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h4-5,7-10,18H,1-3,6,11-15H2,(H,24,28)
InChIKeyWOXXRPZYRHPAFT-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.97
Rot. Bonds6

About 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one

3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one (PubChem CID 123570226) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one
PubChem CID123570226
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one
SMILESO=C(CCCN1CCC(n2c(=O)[nH]c3c2=CCCC=3)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h4-5,7-10,18H,1-3,6,11-15H2,(H,24,28)
InChIKeyWOXXRPZYRHPAFT-UHFFFAOYSA-N
XLogP1.97
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one (CID 123570226) is 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one is O=C(CCCN1CCC(n2c(=O)[nH]c3c2=CCCC=3)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one?
The InChIKey is WOXXRPZYRHPAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h4-5,7-10,18H,1-3,6,11-15H2,(H,24,28).
What are the key properties of 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one?
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one has a molecular weight of 383.47 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-5,6-dihydro-1H-benzimidazol-2-one is sourced from PubChem (CID 123570226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).