4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole

C18H21N5O — CID 70733350

IUPAC4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole
SMILESCCOc1cc2c(cc1-c1nccn1CCn1cnnc1)CCC2
InChIInChI=1S/C18H21N5O/c1-2-24-17-11-15-5-3-4-14(15)10-16(17)18-19-6-7-23(18)9-8-22-12-20-21-13-22/h6-7,10-13H,2-5,8-9H2,1H3
InChIKeySQIHRPGPMRXGEN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.73
Rot. Bonds6

About 4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole

4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole (PubChem CID 70733350) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole
PubChem CID70733350
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole
SMILESCCOc1cc2c(cc1-c1nccn1CCn1cnnc1)CCC2
InChIInChI=1S/C18H21N5O/c1-2-24-17-11-15-5-3-4-14(15)10-16(17)18-19-6-7-23(18)9-8-22-12-20-21-13-22/h6-7,10-13H,2-5,8-9H2,1H3
InChIKeySQIHRPGPMRXGEN-UHFFFAOYSA-N
XLogP2.73
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole?
The IUPAC name of 4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole (CID 70733350) is 4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole.
What is the SMILES notation for 4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole?
The canonical SMILES for 4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole is CCOc1cc2c(cc1-c1nccn1CCn1cnnc1)CCC2.
What is the InChIKey of 4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole?
The InChIKey is SQIHRPGPMRXGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-24-17-11-15-5-3-4-14(15)10-16(17)18-19-6-7-23(18)9-8-22-12-20-21-13-22/h6-7,10-13H,2-5,8-9H2,1H3.
What are the key properties of 4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole?
4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole has a molecular weight of 323.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)imidazol-1-yl]ethyl]-1,2,4-triazole is sourced from PubChem (CID 70733350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).