4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

C22H25FN4O2 — CID 118722107

IUPAC4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESCC1CC(n2c(=O)[nH]c3ccccc32)CCN1CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H25FN4O2/c1-15-14-18(27-20-5-3-2-4-19(20)25-22(27)29)10-12-26(15)13-11-24-21(28)16-6-8-17(23)9-7-16/h2-9,15,18H,10-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyNMSOMEDMEITKLR-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.92
Rot. Bonds5

About 4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 118722107) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID118722107
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESCC1CC(n2c(=O)[nH]c3ccccc32)CCN1CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H25FN4O2/c1-15-14-18(27-20-5-3-2-4-19(20)25-22(27)29)10-12-26(15)13-11-24-21(28)16-6-8-17(23)9-7-16/h2-9,15,18H,10-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyNMSOMEDMEITKLR-UHFFFAOYSA-N
XLogP2.92
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 118722107) is 4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is CC1CC(n2c(=O)[nH]c3ccccc32)CCN1CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is NMSOMEDMEITKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-15-14-18(27-20-5-3-2-4-19(20)25-22(27)29)10-12-26(15)13-11-24-21(28)16-6-8-17(23)9-7-16/h2-9,15,18H,10-14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 118722107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).