2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine

C19H18N6O2 — CID 24606851

IUPAC2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(N2CCC(c3nc4ccccc4[nH]3)CC2)nc2ccccn12
InChIInChI=1S/C19H18N6O2/c26-25(27)19-18(22-16-7-3-4-10-24(16)19)23-11-8-13(9-12-23)17-20-14-5-1-2-6-15(14)21-17/h1-7,10,13H,8-9,11-12H2,(H,20,21)
InChIKeyGBZRVXRSWCXLPX-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.50
Rot. Bonds3

About 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine (PubChem CID 24606851) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine
PubChem CID24606851
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(N2CCC(c3nc4ccccc4[nH]3)CC2)nc2ccccn12
InChIInChI=1S/C19H18N6O2/c26-25(27)19-18(22-16-7-3-4-10-24(16)19)23-11-8-13(9-12-23)17-20-14-5-1-2-6-15(14)21-17/h1-7,10,13H,8-9,11-12H2,(H,20,21)
InChIKeyGBZRVXRSWCXLPX-UHFFFAOYSA-N
XLogP3.50
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine (CID 24606851) is 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine is O=[N+]([O-])c1c(N2CCC(c3nc4ccccc4[nH]3)CC2)nc2ccccn12.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine?
The InChIKey is GBZRVXRSWCXLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c26-25(27)19-18(22-16-7-3-4-10-24(16)19)23-11-8-13(9-12-23)17-20-14-5-1-2-6-15(14)21-17/h1-7,10,13H,8-9,11-12H2,(H,20,21).
What are the key properties of 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine?
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine has a molecular weight of 362.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 24606851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).