1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole

C22H22N4O — CID 50957044

IUPAC1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole
SMILESCOc1ccccc1CCn1cnc(-c2ccccc2)c1-c1nccn1C
InChIInChI=1S/C22H22N4O/c1-25-15-13-23-22(25)21-20(18-9-4-3-5-10-18)24-16-26(21)14-12-17-8-6-7-11-19(17)27-2/h3-11,13,15-16H,12,14H2,1-2H3
InChIKeyRDWDQZHMNKHHDM-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.20
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole

1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole (PubChem CID 50957044) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole
PubChem CID50957044
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole
SMILESCOc1ccccc1CCn1cnc(-c2ccccc2)c1-c1nccn1C
InChIInChI=1S/C22H22N4O/c1-25-15-13-23-22(25)21-20(18-9-4-3-5-10-18)24-16-26(21)14-12-17-8-6-7-11-19(17)27-2/h3-11,13,15-16H,12,14H2,1-2H3
InChIKeyRDWDQZHMNKHHDM-UHFFFAOYSA-N
XLogP4.20
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 149797386
CID 149797386
CID 26412
CID 26412
CID 694963
CID 694963
CID 1132944
CID 1132944
CID 12024852
CID 12024852
CID 5329342
CID 5329342
CID 5329418
CID 5329418
CID 5329419
CID 5329419
CID 5329420
CID 5329420
CID 6539900
CID 6539900
CID 44341278
CID 44341278
CID 45103811
CID 45103811

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole (CID 50957044) is 1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole is COc1ccccc1CCn1cnc(-c2ccccc2)c1-c1nccn1C.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole?
The InChIKey is RDWDQZHMNKHHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-25-15-13-23-22(25)21-20(18-9-4-3-5-10-18)24-16-26(21)14-12-17-8-6-7-11-19(17)27-2/h3-11,13,15-16H,12,14H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole?
1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole has a molecular weight of 358.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-5-(1-methylimidazol-2-yl)-4-phenylimidazole is sourced from PubChem (CID 50957044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).