4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole

C20H23N7O — CID 50961174

IUPAC4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole
SMILESCOCCn1cnnc1CCn1cnc(-c2ccccc2)c1-c1cnc(C)[nH]1
InChIInChI=1S/C20H23N7O/c1-15-21-12-17(24-15)20-19(16-6-4-3-5-7-16)22-13-27(20)9-8-18-25-23-14-26(18)10-11-28-2/h3-7,12-14H,8-11H2,1-2H3,(H,21,24)
InChIKeyOKCJIGSGMBVDJN-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.73
Rot. Bonds8

About 4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole

4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole (PubChem CID 50961174) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole
PubChem CID50961174
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole
SMILESCOCCn1cnnc1CCn1cnc(-c2ccccc2)c1-c1cnc(C)[nH]1
InChIInChI=1S/C20H23N7O/c1-15-21-12-17(24-15)20-19(16-6-4-3-5-7-16)22-13-27(20)9-8-18-25-23-14-26(18)10-11-28-2/h3-7,12-14H,8-11H2,1-2H3,(H,21,24)
InChIKeyOKCJIGSGMBVDJN-UHFFFAOYSA-N
XLogP2.73
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole (CID 50961174) is 4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole is COCCn1cnnc1CCn1cnc(-c2ccccc2)c1-c1cnc(C)[nH]1.
What is the InChIKey of 4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole?
The InChIKey is OKCJIGSGMBVDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-15-21-12-17(24-15)20-19(16-6-4-3-5-7-16)22-13-27(20)9-8-18-25-23-14-26(18)10-11-28-2/h3-7,12-14H,8-11H2,1-2H3,(H,21,24).
What are the key properties of 4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole?
4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole has a molecular weight of 377.45 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-[2-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]ethyl]-1,2,4-triazole is sourced from PubChem (CID 50961174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).