5-methoxy-1H-benzimidazole

C8H8N2O — CID 78598

IUPAC6-methoxy-1H-benzimidazole
SMILESCOC1=CC2=C(C=C1)N=CN2
InChIInChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChIKeyILMHAGCURJPNRZ-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.80
Rot. Bonds1

About 5-methoxy-1H-benzimidazole

5-methoxy-1H-benzimidazole (PubChem CID 78598) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name5-methoxy-1H-benzimidazole
PubChem CID78598
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name6-methoxy-1H-benzimidazole
SMILESCOC1=CC2=C(C=C1)N=CN2
InChIInChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChIKeyILMHAGCURJPNRZ-UHFFFAOYSA-N
XLogP1.80
TPSA37.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity140

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxibendazole
CID 4622
2-Amino-1H-benzimidazol-5-ol
CID 162636
Methyl 5-hydroxybenzimidazol-2-ylcarbamate
CID 115152
Anisiflupurin
CID 25169483
5-methoxy-2-methyl-1H-1,3-benzodiazole
CID 3509826
6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butan-1-ol
CID 5328502
5-(2,3-Epoxypropoxy)-1-phenylbenzimidazole
CID 5328503

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1H-benzimidazole?
The IUPAC name of 5-methoxy-1H-benzimidazole (CID 78598) is 6-methoxy-1H-benzimidazole.
What is the SMILES notation for 5-methoxy-1H-benzimidazole?
The canonical SMILES for 5-methoxy-1H-benzimidazole is COC1=CC2=C(C=C1)N=CN2.
What is the InChIKey of 5-methoxy-1H-benzimidazole?
The InChIKey is ILMHAGCURJPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10).
What are the key properties of 5-methoxy-1H-benzimidazole?
5-methoxy-1H-benzimidazole has a molecular weight of 148.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1H-benzimidazole is sourced from PubChem (CID 78598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).