[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone

C17H18FN5O — CID 118761658

IUPAC[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCCCC2c2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C17H18FN5O/c1-22-9-14(19-10-22)17(24)23-7-3-2-4-15(23)16-20-12-6-5-11(18)8-13(12)21-16/h5-6,8-10,15H,2-4,7H2,1H3,(H,20,21)
InChIKeyMJKHGWRWIYFLEK-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.80
Rot. Bonds2

About [2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone

[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 118761658) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is [2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID118761658
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCCCC2c2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C17H18FN5O/c1-22-9-14(19-10-22)17(24)23-7-3-2-4-15(23)16-20-12-6-5-11(18)8-13(12)21-16/h5-6,8-10,15H,2-4,7H2,1H3,(H,20,21)
InChIKeyMJKHGWRWIYFLEK-UHFFFAOYSA-N
XLogP2.80
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 124614174
2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263
[(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]-[2-(methylamino)-4-pyridinyl]methanone
CID 95893859
[2-(dimethylamino)phenyl]-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95896300
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 95888888
[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone
CID 146024697
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 95872746
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42097087
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 70727782
6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 146024712

Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 118761658) is [2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CCCCC2c2nc3ccc(F)cc3[nH]2)c1.
What is the InChIKey of [2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is MJKHGWRWIYFLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-22-9-14(19-10-22)17(24)23-7-3-2-4-15(23)16-20-12-6-5-11(18)8-13(12)21-16/h5-6,8-10,15H,2-4,7H2,1H3,(H,20,21).
What are the key properties of [2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone?
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 327.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 118761658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).