4-methoxy-1H-benzimidazol-2-amine

C8H9N3O — CID 52987703

IUPAC4-methoxy-1H-benzimidazol-2-amine
SMILESCOc1cccc2[nH]c(N)nc12
InChIInChI=1S/C8H9N3O/c1-12-6-4-2-3-5-7(6)11-8(9)10-5/h2-4H,1H3,(H3,9,10,11)
InChIKeyJXZONHOHNHEXOQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.15
Rot. Bonds1

About 4-methoxy-1H-benzimidazol-2-amine

4-methoxy-1H-benzimidazol-2-amine (PubChem CID 52987703) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-methoxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-methoxy-1H-benzimidazol-2-amine
PubChem CID52987703
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4-methoxy-1H-benzimidazol-2-amine
SMILESCOc1cccc2[nH]c(N)nc12
InChIInChI=1S/C8H9N3O/c1-12-6-4-2-3-5-7(6)11-8(9)10-5/h2-4H,1H3,(H3,9,10,11)
InChIKeyJXZONHOHNHEXOQ-UHFFFAOYSA-N
XLogP1.15
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-benzimidazol-2-amine?
The IUPAC name of 4-methoxy-1H-benzimidazol-2-amine (CID 52987703) is 4-methoxy-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-methoxy-1H-benzimidazol-2-amine?
The canonical SMILES for 4-methoxy-1H-benzimidazol-2-amine is COc1cccc2[nH]c(N)nc12.
What is the InChIKey of 4-methoxy-1H-benzimidazol-2-amine?
The InChIKey is JXZONHOHNHEXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-12-6-4-2-3-5-7(6)11-8(9)10-5/h2-4H,1H3,(H3,9,10,11).
What are the key properties of 4-methoxy-1H-benzimidazol-2-amine?
4-methoxy-1H-benzimidazol-2-amine has a molecular weight of 163.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 52987703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).