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

C16H13N5O — CID 51362891

IUPAC3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1nc2ccccc2n1Cc1noc(-c2cccnc2)n1
InChIInChI=1S/C16H13N5O/c1-11-18-13-6-2-3-7-14(13)21(11)10-15-19-16(22-20-15)12-5-4-8-17-9-12/h2-9H,10H2,1H3
InChIKeyIFZFBGQVWPMHHX-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.84
Rot. Bonds3

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

3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 51362891) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID51362891
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1nc2ccccc2n1Cc1noc(-c2cccnc2)n1
InChIInChI=1S/C16H13N5O/c1-11-18-13-6-2-3-7-14(13)21(11)10-15-19-16(22-20-15)12-5-4-8-17-9-12/h2-9H,10H2,1H3
InChIKeyIFZFBGQVWPMHHX-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

Analyze 3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole (CID 51362891) is 3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole is Cc1nc2ccccc2n1Cc1noc(-c2cccnc2)n1.
What is the InChIKey of 3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is IFZFBGQVWPMHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-11-18-13-6-2-3-7-14(13)21(11)10-15-19-16(22-20-15)12-5-4-8-17-9-12/h2-9H,10H2,1H3.
What are the key properties of 3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-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-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 51362891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).