[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone

C25H22FN3O — CID 46851512

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccccc2F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H22FN3O/c26-21-6-2-1-5-20(21)17-9-11-19(12-10-17)25(30)29-15-13-18(14-16-29)24-27-22-7-3-4-8-23(22)28-24/h1-12,18H,13-16H2,(H,27,28)
InChIKeyWYIFTZNYASTNOB-UHFFFAOYSA-N
MW399.47 g/mol
LogP5.39
Rot. Bonds3

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone (PubChem CID 46851512) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone
PubChem CID46851512
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccccc2F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C25H22FN3O/c26-21-6-2-1-5-20(21)17-9-11-19(12-10-17)25(30)29-15-13-18(14-16-29)24-27-22-7-3-4-8-23(22)28-24/h1-12,18H,13-16H2,(H,27,28)
InChIKeyWYIFTZNYASTNOB-UHFFFAOYSA-N
XLogP5.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
CID 46851674
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 138034009
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 43981442
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 71898934
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 38372032
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
CID 46852471
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 55498022
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone (CID 46851512) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone is O=C(c1ccc(-c2ccccc2F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone?
The InChIKey is WYIFTZNYASTNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O/c26-21-6-2-1-5-20(21)17-9-11-19(12-10-17)25(30)29-15-13-18(14-16-29)24-27-22-7-3-4-8-23(22)28-24/h1-12,18H,13-16H2,(H,27,28).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone has a molecular weight of 399.47 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone is sourced from PubChem (CID 46851512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).