3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole

C16H13N5O — CID 164861768

IUPAC3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole
SMILESCc1nonc1-c1nc2ccccc2n1Cc1ccncc1
InChIInChI=1S/C16H13N5O/c1-11-15(20-22-19-11)16-18-13-4-2-3-5-14(13)21(16)10-12-6-8-17-9-7-12/h2-9H,10H2,1H3
InChIKeyDIPOCOZOGLBFBP-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.84
Rot. Bonds3

About 3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole

3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole (PubChem CID 164861768) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole
PubChem CID164861768
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole
SMILESCc1nonc1-c1nc2ccccc2n1Cc1ccncc1
InChIInChI=1S/C16H13N5O/c1-11-15(20-22-19-11)16-18-13-4-2-3-5-14(13)21(16)10-12-6-8-17-9-7-12/h2-9H,10H2,1H3
InChIKeyDIPOCOZOGLBFBP-UHFFFAOYSA-N
XLogP2.84
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole (CID 164861768) is 3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole is Cc1nonc1-c1nc2ccccc2n1Cc1ccncc1.
What is the InChIKey of 3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole?
The InChIKey is DIPOCOZOGLBFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-11-15(20-22-19-11)16-18-13-4-2-3-5-14(13)21(16)10-12-6-8-17-9-7-12/h2-9H,10H2,1H3.
What are the key properties of 3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole?
3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole has a molecular weight of 291.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 164861768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).