7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine

C13H14N4O — CID 67973721

IUPAC7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine
SMILESNc1ccc(OCCn2ccnc2)c2[nH]ccc12
InChIInChI=1S/C13H14N4O/c14-11-1-2-12(13-10(11)3-4-16-13)18-8-7-17-6-5-15-9-17/h1-6,9,16H,7-8,14H2
InChIKeyPVUOMNPUWJKBJB-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.03
Rot. Bonds4

About 7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine

7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine (PubChem CID 67973721) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine.

Molecular Properties

Compound Name7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine
PubChem CID67973721
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine
SMILESNc1ccc(OCCn2ccnc2)c2[nH]ccc12
InChIInChI=1S/C13H14N4O/c14-11-1-2-12(13-10(11)3-4-16-13)18-8-7-17-6-5-15-9-17/h1-6,9,16H,7-8,14H2
InChIKeyPVUOMNPUWJKBJB-UHFFFAOYSA-N
XLogP2.03
TPSA68.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine?
The IUPAC name of 7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine (CID 67973721) is 7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine.
What is the SMILES notation for 7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine?
The canonical SMILES for 7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine is Nc1ccc(OCCn2ccnc2)c2[nH]ccc12.
What is the InChIKey of 7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine?
The InChIKey is PVUOMNPUWJKBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-11-1-2-12(13-10(11)3-4-16-13)18-8-7-17-6-5-15-9-17/h1-6,9,16H,7-8,14H2.
What are the key properties of 7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine?
7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine has a molecular weight of 242.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-imidazol-1-ylethoxy)-1H-indol-4-amine is sourced from PubChem (CID 67973721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).