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

C20H19N3O2 — CID 71568584

IUPAC2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole
SMILESCOc1ccc(-n2c(Cn3ccnc3)cc3ccc(OC)cc32)cc1
InChIInChI=1S/C20H19N3O2/c1-24-18-7-4-16(5-8-18)23-17(13-22-10-9-21-14-22)11-15-3-6-19(25-2)12-20(15)23/h3-12,14H,13H2,1-2H3
InChIKeyVIZODXKJRWQLTD-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.89
Rot. Bonds5

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

2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole (PubChem CID 71568584) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole
PubChem CID71568584
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole
SMILESCOc1ccc(-n2c(Cn3ccnc3)cc3ccc(OC)cc32)cc1
InChIInChI=1S/C20H19N3O2/c1-24-18-7-4-16(5-8-18)23-17(13-22-10-9-21-14-22)11-15-3-6-19(25-2)12-20(15)23/h3-12,14H,13H2,1-2H3
InChIKeyVIZODXKJRWQLTD-UHFFFAOYSA-N
XLogP3.89
TPSA41.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole?
The IUPAC name of 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole (CID 71568584) is 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole is COc1ccc(-n2c(Cn3ccnc3)cc3ccc(OC)cc32)cc1.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole?
The InChIKey is VIZODXKJRWQLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-24-18-7-4-16(5-8-18)23-17(13-22-10-9-21-14-22)11-15-3-6-19(25-2)12-20(15)23/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole?
2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole has a molecular weight of 333.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-ylmethyl)-6-methoxy-1-(4-methoxyphenyl)indole is sourced from PubChem (CID 71568584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).