2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole

C14H14N4O — CID 56877662

IUPAC2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole
SMILESc1ccc(OCCn2ccnc2-c2cnc[nH]2)cc1
InChIInChI=1S/C14H14N4O/c1-2-4-12(5-3-1)19-9-8-18-7-6-16-14(18)13-10-15-11-17-13/h1-7,10-11H,8-9H2,(H,15,17)
InChIKeyBDORMZALAKAONT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.35
Rot. Bonds5

About 2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole

2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole (PubChem CID 56877662) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole
PubChem CID56877662
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole
SMILESc1ccc(OCCn2ccnc2-c2cnc[nH]2)cc1
InChIInChI=1S/C14H14N4O/c1-2-4-12(5-3-1)19-9-8-18-7-6-16-14(18)13-10-15-11-17-13/h1-7,10-11H,8-9H2,(H,15,17)
InChIKeyBDORMZALAKAONT-UHFFFAOYSA-N
XLogP2.35
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole?
The IUPAC name of 2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole (CID 56877662) is 2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole is c1ccc(OCCn2ccnc2-c2cnc[nH]2)cc1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole?
The InChIKey is BDORMZALAKAONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-4-12(5-3-1)19-9-8-18-7-6-16-14(18)13-10-15-11-17-13/h1-7,10-11H,8-9H2,(H,15,17).
What are the key properties of 2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole?
2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole has a molecular weight of 254.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1-(2-phenoxyethyl)imidazole is sourced from PubChem (CID 56877662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).