1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole

C16H19N7O — CID 59435343

IUPAC1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole
SMILESCOCCn1nnnc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C16H19N7O/c1-24-7-6-23-16(19-20-21-23)13-3-2-12-4-5-22(15(12)8-13)10-14-9-17-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,17,18)
InChIKeyCRENHLVAVVXVFD-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.27
Rot. Bonds6

About 1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole

1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole (PubChem CID 59435343) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole
PubChem CID59435343
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole
SMILESCOCCn1nnnc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C16H19N7O/c1-24-7-6-23-16(19-20-21-23)13-3-2-12-4-5-22(15(12)8-13)10-14-9-17-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,17,18)
InChIKeyCRENHLVAVVXVFD-UHFFFAOYSA-N
XLogP1.27
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole (CID 59435343) is 1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole is COCCn1nnnc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole?
The InChIKey is CRENHLVAVVXVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-24-7-6-23-16(19-20-21-23)13-3-2-12-4-5-22(15(12)8-13)10-14-9-17-11-18-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,17,18).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole?
1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole has a molecular weight of 325.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole is sourced from PubChem (CID 59435343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).