5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole

C15H15N3O — CID 80641562

IUPAC5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole
SMILESc1cc2cc(OCc3cncn3C3CC3)ccc2[nH]1
InChIInChI=1S/C15H15N3O/c1-2-12(1)18-10-16-8-13(18)9-19-14-3-4-15-11(7-14)5-6-17-15/h3-8,10,12,17H,1-2,9H2
InChIKeyJAZGFRRLZFKSLN-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.28
Rot. Bonds4

About 5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole

5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole (PubChem CID 80641562) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole.

Molecular Properties

Compound Name5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole
PubChem CID80641562
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole
SMILESc1cc2cc(OCc3cncn3C3CC3)ccc2[nH]1
InChIInChI=1S/C15H15N3O/c1-2-12(1)18-10-16-8-13(18)9-19-14-3-4-15-11(7-14)5-6-17-15/h3-8,10,12,17H,1-2,9H2
InChIKeyJAZGFRRLZFKSLN-UHFFFAOYSA-N
XLogP3.28
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole?
The IUPAC name of 5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole (CID 80641562) is 5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole.
What is the SMILES notation for 5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole?
The canonical SMILES for 5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole is c1cc2cc(OCc3cncn3C3CC3)ccc2[nH]1.
What is the InChIKey of 5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole?
The InChIKey is JAZGFRRLZFKSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-12(1)18-10-16-8-13(18)9-19-14-3-4-15-11(7-14)5-6-17-15/h3-8,10,12,17H,1-2,9H2.
What are the key properties of 5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole?
5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole has a molecular weight of 253.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropylimidazol-4-yl)methoxy]-1H-indole is sourced from PubChem (CID 80641562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).