1-methoxybenzimidazol-2-amine

C8H9N3O — CID 21390437

IUPAC1-methoxybenzimidazol-2-amine
SMILESCOn1c(N)nc2ccccc21
InChIInChI=1S/C8H9N3O/c1-12-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
InChIKeyQTZHTWMCUUZRQB-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.68
Rot. Bonds1

About 1-methoxybenzimidazol-2-amine

1-methoxybenzimidazol-2-amine (PubChem CID 21390437) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-methoxybenzimidazol-2-amine
PubChem CID21390437
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1-methoxybenzimidazol-2-amine
SMILESCOn1c(N)nc2ccccc21
InChIInChI=1S/C8H9N3O/c1-12-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
InChIKeyQTZHTWMCUUZRQB-UHFFFAOYSA-N
XLogP0.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-1-methoxybenzimidazole
CID 3843081
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
(2-aminobenzimidazol-1-yl) 4-aminobenzoate
CID 70251996
(2-aminobenzimidazol-1-yl) 3-aminonaphthalene-2-carboxylate
CID 70248814
methyl 2-(2-aminobenzimidazol-1-yl)butanoate
CID 82358918
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
1-(2,5-dimethoxyphenyl)benzimidazol-2-amine
CID 43148885
1-[(E)-(4-methoxyphenyl)methylideneamino]benzimidazol-2-amine
CID 6858525
2-aminobenzimidazole-1-carboxylic acid
CID 20537592
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
CID 87845510
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828

Frequently Asked Questions

What is the IUPAC name of 1-methoxybenzimidazol-2-amine?
The IUPAC name of 1-methoxybenzimidazol-2-amine (CID 21390437) is 1-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-methoxybenzimidazol-2-amine is COn1c(N)nc2ccccc21.
What is the InChIKey of 1-methoxybenzimidazol-2-amine?
The InChIKey is QTZHTWMCUUZRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-12-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10).
What are the key properties of 1-methoxybenzimidazol-2-amine?
1-methoxybenzimidazol-2-amine has a molecular weight of 163.18 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybenzimidazol-2-amine is sourced from PubChem (CID 21390437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).