4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole

C22H26N2O2 — CID 57426311

IUPAC4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole
SMILESCCC(CC)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C22H26N2O2/c1-5-15(6-2)22-23-20(16-7-11-18(25-3)12-8-16)21(24-22)17-9-13-19(26-4)14-10-17/h7-15H,5-6H2,1-4H3,(H,23,24)
InChIKeyDVXGPBVVFIKFTJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.66
Rot. Bonds7

About 4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole

4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole (PubChem CID 57426311) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole
PubChem CID57426311
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole
SMILESCCC(CC)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C22H26N2O2/c1-5-15(6-2)22-23-20(16-7-11-18(25-3)12-8-16)21(24-22)17-9-13-19(26-4)14-10-17/h7-15H,5-6H2,1-4H3,(H,23,24)
InChIKeyDVXGPBVVFIKFTJ-UHFFFAOYSA-N
XLogP5.66
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol
CID 13127265
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-(1H-indol-2-yl)methanethiol
CID 87836550
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 20556887
2-hexyl-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 57426288
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 90189417
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole (CID 57426311) is 4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole is CCC(CC)c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole?
The InChIKey is DVXGPBVVFIKFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-5-15(6-2)22-23-20(16-7-11-18(25-3)12-8-16)21(24-22)17-9-13-19(26-4)14-10-17/h7-15H,5-6H2,1-4H3,(H,23,24).
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole?
4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole has a molecular weight of 350.46 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole is sourced from PubChem (CID 57426311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).