2-(ethoxymethyl)-1H-benzimidazol-4-amine

C10H13N3O — CID 63691528

IUPAC2-(ethoxymethyl)-1H-benzimidazol-4-amine
SMILESCCOCc1nc2c(N)cccc2[nH]1
InChIInChI=1S/C10H13N3O/c1-2-14-6-9-12-8-5-3-4-7(11)10(8)13-9/h3-5H,2,6,11H2,1H3,(H,12,13)
InChIKeyWVKBASMSNBNMNP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.68
Rot. Bonds3

About 2-(ethoxymethyl)-1H-benzimidazol-4-amine

2-(ethoxymethyl)-1H-benzimidazol-4-amine (PubChem CID 63691528) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1H-benzimidazol-4-amine
PubChem CID63691528
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(ethoxymethyl)-1H-benzimidazol-4-amine
SMILESCCOCc1nc2c(N)cccc2[nH]1
InChIInChI=1S/C10H13N3O/c1-2-14-6-9-12-8-5-3-4-7(11)10(8)13-9/h3-5H,2,6,11H2,1H3,(H,12,13)
InChIKeyWVKBASMSNBNMNP-UHFFFAOYSA-N
XLogP1.68
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(ethoxymethyl)-1H-benzimidazol-4-amine (CID 63691528) is 2-(ethoxymethyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-1H-benzimidazol-4-amine is CCOCc1nc2c(N)cccc2[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-1H-benzimidazol-4-amine?
The InChIKey is WVKBASMSNBNMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-14-6-9-12-8-5-3-4-7(11)10(8)13-9/h3-5H,2,6,11H2,1H3,(H,12,13).
What are the key properties of 2-(ethoxymethyl)-1H-benzimidazol-4-amine?
2-(ethoxymethyl)-1H-benzimidazol-4-amine has a molecular weight of 191.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 63691528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).