1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole

C22H20N4O — CID 50960936

IUPAC1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole
SMILESCOc1ccccc1/C=C/c1c(-c2ccccc2)ncn1Cc1ncc[nH]1
InChIInChI=1S/C22H20N4O/c1-27-20-10-6-5-7-17(20)11-12-19-22(18-8-3-2-4-9-18)25-16-26(19)15-21-23-13-14-24-21/h2-14,16H,15H2,1H3,(H,23,24)/b12-11+
InChIKeyTYPCCCPZAARWCH-VAWYXSNFSA-N
MW356.43 g/mol
LogP4.50
Rot. Bonds6

About 1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole

1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole (PubChem CID 50960936) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole
PubChem CID50960936
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole
SMILESCOc1ccccc1/C=C/c1c(-c2ccccc2)ncn1Cc1ncc[nH]1
InChIInChI=1S/C22H20N4O/c1-27-20-10-6-5-7-17(20)11-12-19-22(18-8-3-2-4-9-18)25-16-26(19)15-21-23-13-14-24-21/h2-14,16H,15H2,1H3,(H,23,24)/b12-11+
InChIKeyTYPCCCPZAARWCH-VAWYXSNFSA-N
XLogP4.50
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole (CID 50960936) is 1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole is COc1ccccc1/C=C/c1c(-c2ccccc2)ncn1Cc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole?
The InChIKey is TYPCCCPZAARWCH-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H20N4O/c1-27-20-10-6-5-7-17(20)11-12-19-22(18-8-3-2-4-9-18)25-16-26(19)15-21-23-13-14-24-21/h2-14,16H,15H2,1H3,(H,23,24)/b12-11+.
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole?
1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole has a molecular weight of 356.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-phenylimidazole is sourced from PubChem (CID 50960936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).