1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole

C13H15N3O — CID 24951528

IUPAC1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
SMILESCOc1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C13H15N3O/c1-17-12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11/h2-3,6-7,9H,4-5,8H2,1H3,(H,14,15)
InChIKeyPTMITIRTYVVXFB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.98
Rot. Bonds3

About 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole

1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole (PubChem CID 24951528) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
PubChem CID24951528
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
SMILESCOc1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C13H15N3O/c1-17-12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11/h2-3,6-7,9H,4-5,8H2,1H3,(H,14,15)
InChIKeyPTMITIRTYVVXFB-UHFFFAOYSA-N
XLogP1.98
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole (CID 24951528) is 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole is COc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole?
The InChIKey is PTMITIRTYVVXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-12-3-2-10-4-5-16(13(10)6-12)8-11-7-14-9-15-11/h2-3,6-7,9H,4-5,8H2,1H3,(H,14,15).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole?
1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole has a molecular weight of 229.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole is sourced from PubChem (CID 24951528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).