[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone

C19H18BrN3O2 — CID 55497026

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Br)ccc1O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H18BrN3O2/c20-13-7-8-17(24)14(10-13)19(25)23-9-3-4-12(11-23)18-21-15-5-1-2-6-16(15)22-18/h1-2,5-8,10,12,24H,3-4,9,11H2,(H,21,22)
InChIKeyIYMCRFQGCRKLLS-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.05
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone (PubChem CID 55497026) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
PubChem CID55497026
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(Br)ccc1O)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H18BrN3O2/c20-13-7-8-17(24)14(10-13)19(25)23-9-3-4-12(11-23)18-21-15-5-1-2-6-16(15)22-18/h1-2,5-8,10,12,24H,3-4,9,11H2,(H,21,22)
InChIKeyIYMCRFQGCRKLLS-UHFFFAOYSA-N
XLogP4.05
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 24599736
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 28667761
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 24675834

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone (CID 55497026) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone is O=C(c1cc(Br)ccc1O)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone?
The InChIKey is IYMCRFQGCRKLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c20-13-7-8-17(24)14(10-13)19(25)23-9-3-4-12(11-23)18-21-15-5-1-2-6-16(15)22-18/h1-2,5-8,10,12,24H,3-4,9,11H2,(H,21,22).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone has a molecular weight of 400.28 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone is sourced from PubChem (CID 55497026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).