2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine

C13H19N3O3 — CID 103176854

IUPAC2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine
SMILESCOCCCOCCOc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H19N3O3/c1-17-5-2-6-18-7-8-19-13-15-11-4-3-10(14)9-12(11)16-13/h3-4,9H,2,5-8,14H2,1H3,(H,15,16)
InChIKeyPZFYGNGUJXNRDF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.58
Rot. Bonds8

About 2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine

2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine (PubChem CID 103176854) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine
PubChem CID103176854
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine
SMILESCOCCCOCCOc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H19N3O3/c1-17-5-2-6-18-7-8-19-13-15-11-4-3-10(14)9-12(11)16-13/h3-4,9H,2,5-8,14H2,1H3,(H,15,16)
InChIKeyPZFYGNGUJXNRDF-UHFFFAOYSA-N
XLogP1.58
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine (CID 103176854) is 2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine is COCCCOCCOc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine?
The InChIKey is PZFYGNGUJXNRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-17-5-2-6-18-7-8-19-13-15-11-4-3-10(14)9-12(11)16-13/h3-4,9H,2,5-8,14H2,1H3,(H,15,16).
What are the key properties of 2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine?
2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine has a molecular weight of 265.31 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethoxy]-3H-benzimidazol-5-amine is sourced from PubChem (CID 103176854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).