[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C21H23FN4O — CID 95896300

IUPAC[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCN(C)c1ccccc1C(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C21H23FN4O/c1-25(2)18-8-4-3-7-15(18)21(27)26-12-6-5-9-19(26)20-23-16-11-10-14(22)13-17(16)24-20/h3-4,7-8,10-11,13,19H,5-6,9,12H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyRAYRCDJCGOAPAR-LJQANCHMSA-N
MW366.44 g/mol
LogP4.14
Rot. Bonds3

About [2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone

[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95896300) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is [2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID95896300
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCN(C)c1ccccc1C(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C21H23FN4O/c1-25(2)18-8-4-3-7-15(18)21(27)26-12-6-5-9-19(26)20-23-16-11-10-14(22)13-17(16)24-20/h3-4,7-8,10-11,13,19H,5-6,9,12H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyRAYRCDJCGOAPAR-LJQANCHMSA-N
XLogP4.14
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 95896268
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 70780184
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 95872711
2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263
(2,3-dimethyl-1H-indol-7-yl)-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024728
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 118761658
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 70710800
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95891966
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 51269954
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 95893859
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 70727782
3H-benzimidazol-5-yl-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 146024703

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 95896300) is [2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is CN(C)c1ccccc1C(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of [2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is RAYRCDJCGOAPAR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-25(2)18-8-4-3-7-15(18)21(27)26-12-6-5-9-19(26)20-23-16-11-10-14(22)13-17(16)24-20/h3-4,7-8,10-11,13,19H,5-6,9,12H2,1-2H3,(H,23,24)/t19-/m1/s1.
What are the key properties of [2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 366.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95896300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).