1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole

C22H22N4 — CID 122388933

IUPAC1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole
SMILESCc1cc(C)c(-c2c(C)cc(C)cc2-n2ccnc2)c(-n2ccnc2)c1
InChIInChI=1S/C22H22N4/c1-15-9-17(3)21(19(11-15)25-7-5-23-13-25)22-18(4)10-16(2)12-20(22)26-8-6-24-14-26/h5-14H,1-4H3
InChIKeyQRPNLNQUQQJMEF-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.96
Rot. Bonds3

About 1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole

1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole (PubChem CID 122388933) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole
PubChem CID122388933
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole
SMILESCc1cc(C)c(-c2c(C)cc(C)cc2-n2ccnc2)c(-n2ccnc2)c1
InChIInChI=1S/C22H22N4/c1-15-9-17(3)21(19(11-15)25-7-5-23-13-25)22-18(4)10-16(2)12-20(22)26-8-6-24-14-26/h5-14H,1-4H3
InChIKeyQRPNLNQUQQJMEF-UHFFFAOYSA-N
XLogP4.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole
CID 70471993
1-(4-bromo-2-methylphenyl)imidazole
CID 70332968
ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689
4-(2-fluoro-4,6-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106882750
2-chloro-4-imidazol-1-yl-5-methylaniline
CID 115555169
(4-imidazol-1-yl-3-methylphenyl)methanol
CID 62122421
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
(3-chloro-5-imidazol-1-ylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 13247697
1-(2-methylthiophen-3-yl)imidazole
CID 123164453
N-(2-imidazol-1-yl-4-methylphenyl)pyridin-3-amine
CID 91456569
1-(4-fluoro-5-methyl-2-nitrophenyl)imidazole
CID 103594395
1-(3-fluoro-4-methylphenyl)imidazole
CID 18758587

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole?
The IUPAC name of 1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole (CID 122388933) is 1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole.
What is the SMILES notation for 1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole?
The canonical SMILES for 1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole is Cc1cc(C)c(-c2c(C)cc(C)cc2-n2ccnc2)c(-n2ccnc2)c1.
What is the InChIKey of 1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole?
The InChIKey is QRPNLNQUQQJMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-9-17(3)21(19(11-15)25-7-5-23-13-25)22-18(4)10-16(2)12-20(22)26-8-6-24-14-26/h5-14H,1-4H3.
What are the key properties of 1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole?
1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole has a molecular weight of 342.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-imidazol-1-yl-4,6-dimethylphenyl)-3,5-dimethylphenyl]imidazole is sourced from PubChem (CID 122388933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).