2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide

C23H27FN4O4 — CID 91458463

IUPAC2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide
SMILESNC(=O)c1ccccc1COCC(O)CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1
InChIInChI=1S/C23H27FN4O4/c24-16-5-6-21-20(11-16)26-23(31)28(21)17-7-9-27(10-8-17)12-18(29)14-32-13-15-3-1-2-4-19(15)22(25)30/h1-6,11,17-18,29H,7-10,12-14H2,(H2,25,30)(H,26,31)
InChIKeyPIAQBLXKAZGQLD-UHFFFAOYSA-N
MW442.49 g/mol
LogP1.78
Rot. Bonds8

About 2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide

2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide (PubChem CID 91458463) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide.

Molecular Properties

Compound Name2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide
PubChem CID91458463
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide
SMILESNC(=O)c1ccccc1COCC(O)CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1
InChIInChI=1S/C23H27FN4O4/c24-16-5-6-21-20(11-16)26-23(31)28(21)17-7-9-27(10-8-17)12-18(29)14-32-13-15-3-1-2-4-19(15)22(25)30/h1-6,11,17-18,29H,7-10,12-14H2,(H2,25,30)(H,26,31)
InChIKeyPIAQBLXKAZGQLD-UHFFFAOYSA-N
XLogP1.78
TPSA113.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide with MolForge

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Related Compounds

3-[1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126772981
3-[1-[2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one;oxalic acid
CID 110168486
N-[5-bromo-2-[(2S)-3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 69195810
3-[1-[2-hydroxy-3-(oxan-4-yloxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126785090
5-fluoro-N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1H-indole-2-carboxamide
CID 53470150
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754
3-[1-[4-(4-chlorophenyl)-2-hydroxybutyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 110168481
N-[(2S)-1-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide
CID 44573132
1-[(2-fluorophenyl)methoxy]-3-(4-phenylmethoxypiperidin-1-yl)propan-2-ol
CID 86913317
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide?
The IUPAC name of 2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide (CID 91458463) is 2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide.
What is the SMILES notation for 2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide?
The canonical SMILES for 2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide is NC(=O)c1ccccc1COCC(O)CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1.
What is the InChIKey of 2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide?
The InChIKey is PIAQBLXKAZGQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c24-16-5-6-21-20(11-16)26-23(31)28(21)17-7-9-27(10-8-17)12-18(29)14-32-13-15-3-1-2-4-19(15)22(25)30/h1-6,11,17-18,29H,7-10,12-14H2,(H2,25,30)(H,26,31).
What are the key properties of 2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide?
2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide has a molecular weight of 442.49 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-2-hydroxypropoxy]methyl]benzamide is sourced from PubChem (CID 91458463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).