5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole

C15H11N5O — CID 167919809

IUPAC5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole
SMILESc1ccc(-c2nccn2Cc2ccc3nonc3c2)nc1
InChIInChI=1S/C15H11N5O/c1-2-6-16-13(3-1)15-17-7-8-20(15)10-11-4-5-12-14(9-11)19-21-18-12/h1-9H,10H2
InChIKeyXYSJSWQQTBOZDT-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.53
Rot. Bonds3

About 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole

5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole (PubChem CID 167919809) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole
PubChem CID167919809
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole
SMILESc1ccc(-c2nccn2Cc2ccc3nonc3c2)nc1
InChIInChI=1S/C15H11N5O/c1-2-6-16-13(3-1)15-17-7-8-20(15)10-11-4-5-12-14(9-11)19-21-18-12/h1-9H,10H2
InChIKeyXYSJSWQQTBOZDT-UHFFFAOYSA-N
XLogP2.53
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
2-[1-(furan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155919716
3-(1-benzylimidazol-2-yl)-5-phenyl-1,2-oxazole
CID 6421530
2-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]pyridine
CID 169417860
2-(2-pyridin-2-ylimidazol-1-yl)acetamide
CID 82558916
2-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]-1,3-thiazole
CID 169418907
2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrol-2-yl]pyridine
CID 11208335
2-(1-benzyl-4-methylpyrrol-2-yl)pyridine
CID 86011752
(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
CID 95144676
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155916058
1-(3,5-dimethylphenyl)-2-(2-pyridin-2-ylimidazol-1-yl)ethanol
CID 109411368

Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole?
The IUPAC name of 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole (CID 167919809) is 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole is c1ccc(-c2nccn2Cc2ccc3nonc3c2)nc1.
What is the InChIKey of 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole?
The InChIKey is XYSJSWQQTBOZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c1-2-6-16-13(3-1)15-17-7-8-20(15)10-11-4-5-12-14(9-11)19-21-18-12/h1-9H,10H2.
What are the key properties of 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole?
5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole has a molecular weight of 277.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 167919809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).