2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole

C25H24N2O4S — CID 110530000

IUPAC2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole
SMILESCOc1cccc(-c2nccn2S(=O)(=O)c2ccc(C)cc2)c1OCc1cccc(C)c1
InChIInChI=1S/C25H24N2O4S/c1-18-10-12-21(13-11-18)32(28,29)27-15-14-26-25(27)22-8-5-9-23(30-3)24(22)31-17-20-7-4-6-19(2)16-20/h4-16H,17H2,1-3H3
InChIKeyDZNHHAYIZBTIEV-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.99
Rot. Bonds7

About 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole

2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole (PubChem CID 110530000) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole.

Molecular Properties

Compound Name2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole
PubChem CID110530000
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole
SMILESCOc1cccc(-c2nccn2S(=O)(=O)c2ccc(C)cc2)c1OCc1cccc(C)c1
InChIInChI=1S/C25H24N2O4S/c1-18-10-12-21(13-11-18)32(28,29)27-15-14-26-25(27)22-8-5-9-23(30-3)24(22)31-17-20-7-4-6-19(2)16-20/h4-16H,17H2,1-3H3
InChIKeyDZNHHAYIZBTIEV-UHFFFAOYSA-N
XLogP4.99
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-methylimidazole
CID 110538203
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227
1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole
CID 110532187
1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole
CID 110529999
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110532647
2-[3-methoxy-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]-1-methylsulfonylimidazole
CID 110531420
N-[(E)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517229
5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43516816
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527797

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole?
The IUPAC name of 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole (CID 110530000) is 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole.
What is the SMILES notation for 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole?
The canonical SMILES for 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole is COc1cccc(-c2nccn2S(=O)(=O)c2ccc(C)cc2)c1OCc1cccc(C)c1.
What is the InChIKey of 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole?
The InChIKey is DZNHHAYIZBTIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-18-10-12-21(13-11-18)32(28,29)27-15-14-26-25(27)22-8-5-9-23(30-3)24(22)31-17-20-7-4-6-19(2)16-20/h4-16H,17H2,1-3H3.
What are the key properties of 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole?
2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole has a molecular weight of 448.54 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-1-(4-methylphenyl)sulfonylimidazole is sourced from PubChem (CID 110530000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).