2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole

C20H19N3O — CID 71568448

IUPAC2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole
SMILESCOc1ccc2cc(Cn3ccnc3)n(-c3ccc(C)cc3)c2c1
InChIInChI=1S/C20H19N3O/c1-15-3-6-17(7-4-15)23-18(13-22-10-9-21-14-22)11-16-5-8-19(24-2)12-20(16)23/h3-12,14H,13H2,1-2H3
InChIKeyJQNBDHRTXJTFRI-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.19
Rot. Bonds4

About 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole

2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole (PubChem CID 71568448) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole
PubChem CID71568448
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole
SMILESCOc1ccc2cc(Cn3ccnc3)n(-c3ccc(C)cc3)c2c1
InChIInChI=1S/C20H19N3O/c1-15-3-6-17(7-4-15)23-18(13-22-10-9-21-14-22)11-16-5-8-19(24-2)12-20(16)23/h3-12,14H,13H2,1-2H3
InChIKeyJQNBDHRTXJTFRI-UHFFFAOYSA-N
XLogP4.19
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.19
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-(4-methylphenyl)indole?
The IUPAC name of 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole (CID 71568448) is 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole is COc1ccc2cc(Cn3ccnc3)n(-c3ccc(C)cc3)c2c1.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole?
The InChIKey is JQNBDHRTXJTFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-3-6-17(7-4-15)23-18(13-22-10-9-21-14-22)11-16-5-8-19(24-2)12-20(16)23/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole?
2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methylphenyl)indole has a molecular weight of 317.39 g/mol, XLogP of 4.19, 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-(4-methylphenyl)indole is sourced from PubChem (CID 71568448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).