5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole

C21H17N5O2 — CID 140730884

IUPAC5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole
SMILESCN1CN(c2cccc(Oc3cccc(-c4nnno4)c3)c2)c2ccccc21
InChIInChI=1S/C21H17N5O2/c1-25-14-26(20-11-3-2-10-19(20)25)16-7-5-9-18(13-16)27-17-8-4-6-15(12-17)21-22-23-24-28-21/h2-13H,14H2,1H3
InChIKeyBJTSERPSCNNQQP-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.47
Rot. Bonds4

About 5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole

5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole (PubChem CID 140730884) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole.

Molecular Properties

Compound Name5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole
PubChem CID140730884
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole
SMILESCN1CN(c2cccc(Oc3cccc(-c4nnno4)c3)c2)c2ccccc21
InChIInChI=1S/C21H17N5O2/c1-25-14-26(20-11-3-2-10-19(20)25)16-7-5-9-18(13-16)27-17-8-4-6-15(12-17)21-22-23-24-28-21/h2-13H,14H2,1H3
InChIKeyBJTSERPSCNNQQP-UHFFFAOYSA-N
XLogP4.47
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
3-methyl-1-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-furo[2,3-d]imidazole
CID 140730371
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
1-methyl-3-[2-[3-(1-methyltriazol-4-yl)phenoxy]-4-pyridinyl]-2H-benzimidazole
CID 168848612
1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731879
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine
CID 162272328
11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 170668607
1-(3-dibenzofuran-3-ylphenyl)-3-methyl-2H-benzimidazole
CID 140714920
1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole
CID 166007130
1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole
CID 59307444
1-[2-[3-[(4-tert-butyl-2-pyridinyl)sulfanyl]phenoxy]-4-pyridinyl]-3-methyl-2H-benzimidazole
CID 168848516

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole?
The IUPAC name of 5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole (CID 140730884) is 5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole.
What is the SMILES notation for 5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole?
The canonical SMILES for 5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole is CN1CN(c2cccc(Oc3cccc(-c4nnno4)c3)c2)c2ccccc21.
What is the InChIKey of 5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole?
The InChIKey is BJTSERPSCNNQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-25-14-26(20-11-3-2-10-19(20)25)16-7-5-9-18(13-16)27-17-8-4-6-15(12-17)21-22-23-24-28-21/h2-13H,14H2,1H3.
What are the key properties of 5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole?
5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole has a molecular weight of 371.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole is sourced from PubChem (CID 140730884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).