[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone

C18H17FN4O — CID 138034009

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ncccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17FN4O/c19-13-4-3-9-20-16(13)18(24)23-10-7-12(8-11-23)17-21-14-5-1-2-6-15(14)22-17/h1-6,9,12H,7-8,10-11H2,(H,21,22)
InChIKeyRJIPASXOJDHSGX-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.12
Rot. Bonds2

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone (PubChem CID 138034009) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
PubChem CID138034009
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
SMILESO=C(c1ncccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17FN4O/c19-13-4-3-9-20-16(13)18(24)23-10-7-12(8-11-23)17-21-14-5-1-2-6-15(14)22-17/h1-6,9,12H,7-8,10-11H2,(H,21,22)
InChIKeyRJIPASXOJDHSGX-UHFFFAOYSA-N
XLogP3.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone
CID 46851512
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 71898934
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 33116238
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 71827914
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
CID 95868077
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one
CID 71828001
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone
CID 146022591
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 55536470
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone (CID 138034009) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone is O=C(c1ncccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone?
The InChIKey is RJIPASXOJDHSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-13-4-3-9-20-16(13)18(24)23-10-7-12(8-11-23)17-21-14-5-1-2-6-15(14)22-17/h1-6,9,12H,7-8,10-11H2,(H,21,22).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone has a molecular weight of 324.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 138034009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).