4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole

C23H19N5O — CID 50973587

IUPAC4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole
SMILESCc1cccnc1CCn1cnc(-c2ccccc2)c1-c1cccc2nonc12
InChIInChI=1S/C23H19N5O/c1-16-7-6-13-24-19(16)12-14-28-15-25-21(17-8-3-2-4-9-17)23(28)18-10-5-11-20-22(18)27-29-26-20/h2-11,13,15H,12,14H2,1H3
InChIKeyNNDGSXBPWALWGJ-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.70
Rot. Bonds5

About 4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole

4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole (PubChem CID 50973587) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole
PubChem CID50973587
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole
SMILESCc1cccnc1CCn1cnc(-c2ccccc2)c1-c1cccc2nonc12
InChIInChI=1S/C23H19N5O/c1-16-7-6-13-24-19(16)12-14-28-15-25-21(17-8-3-2-4-9-17)23(28)18-10-5-11-20-22(18)27-29-26-20/h2-11,13,15H,12,14H2,1H3
InChIKeyNNDGSXBPWALWGJ-UHFFFAOYSA-N
XLogP4.70
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole?
The IUPAC name of 4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole (CID 50973587) is 4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole is Cc1cccnc1CCn1cnc(-c2ccccc2)c1-c1cccc2nonc12.
What is the InChIKey of 4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole?
The InChIKey is NNDGSXBPWALWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-16-7-6-13-24-19(16)12-14-28-15-25-21(17-8-3-2-4-9-17)23(28)18-10-5-11-20-22(18)27-29-26-20/h2-11,13,15H,12,14H2,1H3.
What are the key properties of 4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole?
4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole has a molecular weight of 381.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3-methyl-2-pyridinyl)ethyl]-5-phenylimidazol-4-yl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 50973587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).