1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone

C20H19BrFN3O — CID 146022591

IUPAC1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(Br)c1F)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H19BrFN3O/c21-15-5-3-4-14(19(15)22)12-18(26)25-10-8-13(9-11-25)20-23-16-6-1-2-7-17(16)24-20/h1-7,13H,8-12H2,(H,23,24)
InChIKeySJDSWOHSAHMCCU-UHFFFAOYSA-N
MW416.29 g/mol
LogP4.41
Rot. Bonds3

About 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone (PubChem CID 146022591) has the molecular formula C20H19BrFN3O and a molecular weight of 416.29 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone
PubChem CID146022591
Molecular FormulaC20H19BrFN3O
Molecular Weight416.29 g/mol
Exact Mass415.07
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(Br)c1F)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H19BrFN3O/c21-15-5-3-4-14(19(15)22)12-18(26)25-10-8-13(9-11-25)20-23-16-6-1-2-7-17(16)24-20/h1-7,13H,8-12H2,(H,23,24)
InChIKeySJDSWOHSAHMCCU-UHFFFAOYSA-N
XLogP4.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 29128735
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 35348941
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 138034009
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 55688096
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
CID 108739547
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 33117135
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone
CID 60523337
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone
CID 56814068
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-4-fluorophenyl)ethanone
CID 55855920

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone (CID 146022591) is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone is O=C(Cc1cccc(Br)c1F)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone?
The InChIKey is SJDSWOHSAHMCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3O/c21-15-5-3-4-14(19(15)22)12-18(26)25-10-8-13(9-11-25)20-23-16-6-1-2-7-17(16)24-20/h1-7,13H,8-12H2,(H,23,24).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone?
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone has a molecular weight of 416.29 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone is sourced from PubChem (CID 146022591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).