1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole

C21H25N5O3 — CID 651316

IUPAC1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole
SMILESCOCCn1nnnc1C(c1ccc(OC)c(OC)c1)N1CCc2ccccc21
InChIInChI=1S/C21H25N5O3/c1-27-13-12-26-21(22-23-24-26)20(16-8-9-18(28-2)19(14-16)29-3)25-11-10-15-6-4-5-7-17(15)25/h4-9,14,20H,10-13H2,1-3H3
InChIKeyVNXRYQGUOXLTPJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.49
Rot. Bonds8

About 1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole

1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole (PubChem CID 651316) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole
PubChem CID651316
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole
SMILESCOCCn1nnnc1C(c1ccc(OC)c(OC)c1)N1CCc2ccccc21
InChIInChI=1S/C21H25N5O3/c1-27-13-12-26-21(22-23-24-26)20(16-8-9-18(28-2)19(14-16)29-3)25-11-10-15-6-4-5-7-17(15)25/h4-9,14,20H,10-13H2,1-3H3
InChIKeyVNXRYQGUOXLTPJ-UHFFFAOYSA-N
XLogP2.49
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2,3-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-phenyl-piperazine
CID 650046
1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
1-[1-[1-(1,3-Benzodioxol-5-ylmethyl)tetrazol-5-yl]propyl]-4-(4-fluorophenyl)piperazine
CID 648059
1-[1-(1-Benzo[1,3]dioxol-5-ylmethyl-1H-tetrazol-5-yl)-propyl]-4-(4-methoxy-phenyl)-piperazine
CID 649584
1-{(3,4-Dimethoxy-phenyl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-4-(3-methoxy-phenyl)-piperazine
CID 650371
1-{(3,4-Dimethoxy-phenyl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 650880
1-{(4-Methoxy-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 653553
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-phenyl-piperazine
CID 3208764
1-[(2-Methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 3209579
1-{(3,4-Dimethoxy-phenyl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 6603115
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-(4-methoxy-phenyl)-piperazine
CID 6603437
1-[[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-(3,4,5-trimethoxy-phenyl)-methyl]-4-phenyl-piperazine
CID 655137

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole (CID 651316) is 1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole is COCCn1nnnc1C(c1ccc(OC)c(OC)c1)N1CCc2ccccc21.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole?
The InChIKey is VNXRYQGUOXLTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-27-13-12-26-21(22-23-24-26)20(16-8-9-18(28-2)19(14-16)29-3)25-11-10-15-6-4-5-7-17(15)25/h4-9,14,20H,10-13H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole?
1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole has a molecular weight of 395.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 651316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).