2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole

C19H17N3O — CID 71568444

IUPAC2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole
SMILESCOc1ccc2cc(Cn3ccnc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C19H17N3O/c1-23-18-8-7-15-11-17(13-21-10-9-20-14-21)22(19(15)12-18)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3
InChIKeyVHKSVRCCEWPADE-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.88
Rot. Bonds4

About 2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole

2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole (PubChem CID 71568444) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole
PubChem CID71568444
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole
SMILESCOc1ccc2cc(Cn3ccnc3)n(-c3ccccc3)c2c1
InChIInChI=1S/C19H17N3O/c1-23-18-8-7-15-11-17(13-21-10-9-20-14-21)22(19(15)12-18)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3
InChIKeyVHKSVRCCEWPADE-UHFFFAOYSA-N
XLogP3.88
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole?
The IUPAC name of 2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole (CID 71568444) is 2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole is COc1ccc2cc(Cn3ccnc3)n(-c3ccccc3)c2c1.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole?
The InChIKey is VHKSVRCCEWPADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-23-18-8-7-15-11-17(13-21-10-9-20-14-21)22(19(15)12-18)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3.
What are the key properties of 2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole?
2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole has a molecular weight of 303.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-ylmethyl)-6-methoxy-1-phenylindole is sourced from PubChem (CID 71568444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).