[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone

C17H16BrN3O2 — CID 7184080

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H16BrN3O2/c18-15-6-5-14(23-15)17(22)21-9-7-11(8-10-21)16-19-12-3-1-2-4-13(12)20-16/h1-6,11H,7-10H2,(H,19,20)
InChIKeyJZIYSYRMSHPKGG-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.94
Rot. Bonds2

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone (PubChem CID 7184080) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
PubChem CID7184080
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H16BrN3O2/c18-15-6-5-14(23-15)17(22)21-9-7-11(8-10-21)16-19-12-3-1-2-4-13(12)20-16/h1-6,11H,7-10H2,(H,19,20)
InChIKeyJZIYSYRMSHPKGG-UHFFFAOYSA-N
XLogP3.94
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone (CID 7184080) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone is O=C(c1ccc(Br)o1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone?
The InChIKey is JZIYSYRMSHPKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c18-15-6-5-14(23-15)17(22)21-9-7-11(8-10-21)16-19-12-3-1-2-4-13(12)20-16/h1-6,11H,7-10H2,(H,19,20).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone has a molecular weight of 374.24 g/mol, XLogP of 3.94, 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]-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 7184080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).