7-methoxy-1-methylbenzimidazol-2-amine

C9H11N3O — CID 58985989

IUPAC7-methoxy-1-methylbenzimidazol-2-amine
SMILESCOc1cccc2nc(N)n(C)c12
InChIInChI=1S/C9H11N3O/c1-12-8-6(11-9(12)10)4-3-5-7(8)13-2/h3-5H,1-2H3,(H2,10,11)
InChIKeyXHZRZIOKIRLFQC-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.16
Rot. Bonds1

About 7-methoxy-1-methylbenzimidazol-2-amine

7-methoxy-1-methylbenzimidazol-2-amine (PubChem CID 58985989) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 7-methoxy-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name7-methoxy-1-methylbenzimidazol-2-amine
PubChem CID58985989
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name7-methoxy-1-methylbenzimidazol-2-amine
SMILESCOc1cccc2nc(N)n(C)c12
InChIInChI=1S/C9H11N3O/c1-12-8-6(11-9(12)10)4-3-5-7(8)13-2/h3-5H,1-2H3,(H2,10,11)
InChIKeyXHZRZIOKIRLFQC-UHFFFAOYSA-N
XLogP1.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methylbenzimidazol-2-amine?
The IUPAC name of 7-methoxy-1-methylbenzimidazol-2-amine (CID 58985989) is 7-methoxy-1-methylbenzimidazol-2-amine.
What is the SMILES notation for 7-methoxy-1-methylbenzimidazol-2-amine?
The canonical SMILES for 7-methoxy-1-methylbenzimidazol-2-amine is COc1cccc2nc(N)n(C)c12.
What is the InChIKey of 7-methoxy-1-methylbenzimidazol-2-amine?
The InChIKey is XHZRZIOKIRLFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12-8-6(11-9(12)10)4-3-5-7(8)13-2/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 7-methoxy-1-methylbenzimidazol-2-amine?
7-methoxy-1-methylbenzimidazol-2-amine has a molecular weight of 177.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 58985989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).