2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone

C15H16N4O2 — CID 90820074

IUPAC2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone
SMILESCOc1ccccc1C1=NCN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C15H16N4O2/c1-21-14-5-3-2-4-12(14)13-8-19(11-17-13)15(20)9-18-7-6-16-10-18/h2-7,10H,8-9,11H2,1H3
InChIKeyBYIUZXHJHRZUMI-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.18
Rot. Bonds4

About 2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone

2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone (PubChem CID 90820074) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone
PubChem CID90820074
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone
SMILESCOc1ccccc1C1=NCN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C15H16N4O2/c1-21-14-5-3-2-4-12(14)13-8-19(11-17-13)15(20)9-18-7-6-16-10-18/h2-7,10H,8-9,11H2,1H3
InChIKeyBYIUZXHJHRZUMI-UHFFFAOYSA-N
XLogP1.18
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone (CID 90820074) is 2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone is COc1ccccc1C1=NCN(C(=O)Cn2ccnc2)C1.
What is the InChIKey of 2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone?
The InChIKey is BYIUZXHJHRZUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-21-14-5-3-2-4-12(14)13-8-19(11-17-13)15(20)9-18-7-6-16-10-18/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone?
2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone has a molecular weight of 284.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[5-(2-methoxyphenyl)-2,4-dihydroimidazol-3-yl]ethanone is sourced from PubChem (CID 90820074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).