1-(methoxymethyl)benzimidazol-2-amine

C9H11N3O — CID 12808407

IUPAC1-(methoxymethyl)benzimidazol-2-amine
SMILESCOCn1c(N)nc2ccccc21
InChIInChI=1S/C9H11N3O/c1-13-6-12-8-5-3-2-4-7(8)11-9(12)10/h2-5H,6H2,1H3,(H2,10,11)
InChIKeyDBBBPSZFMYIIKG-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.22
Rot. Bonds2

About 1-(methoxymethyl)benzimidazol-2-amine

1-(methoxymethyl)benzimidazol-2-amine (PubChem CID 12808407) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(methoxymethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(methoxymethyl)benzimidazol-2-amine
PubChem CID12808407
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-(methoxymethyl)benzimidazol-2-amine
SMILESCOCn1c(N)nc2ccccc21
InChIInChI=1S/C9H11N3O/c1-13-6-12-8-5-3-2-4-7(8)11-9(12)10/h2-5H,6H2,1H3,(H2,10,11)
InChIKeyDBBBPSZFMYIIKG-UHFFFAOYSA-N
XLogP1.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
1-[(4-chlorophenoxy)methyl]benzimidazol-2-amine
CID 71137977
N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
CID 70015423
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
1-methoxybenzimidazol-2-amine
CID 21390437
[1-(methoxymethyl)benzimidazol-2-yl]carbamic acid
CID 156529117
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
1-(pyridin-4-ylmethyl)benzimidazol-2-amine
CID 43148815
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide
CID 87838534

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)benzimidazol-2-amine?
The IUPAC name of 1-(methoxymethyl)benzimidazol-2-amine (CID 12808407) is 1-(methoxymethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(methoxymethyl)benzimidazol-2-amine?
The canonical SMILES for 1-(methoxymethyl)benzimidazol-2-amine is COCn1c(N)nc2ccccc21.
What is the InChIKey of 1-(methoxymethyl)benzimidazol-2-amine?
The InChIKey is DBBBPSZFMYIIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-13-6-12-8-5-3-2-4-7(8)11-9(12)10/h2-5H,6H2,1H3,(H2,10,11).
What are the key properties of 1-(methoxymethyl)benzimidazol-2-amine?
1-(methoxymethyl)benzimidazol-2-amine has a molecular weight of 177.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)benzimidazol-2-amine is sourced from PubChem (CID 12808407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).