1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole

C22H26F2N2 — CID 154614645

IUPAC1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole
SMILESCc1cc(F)cc(C)c1N1C=CN(c2c(C)cc(F)cc2C)C1C(C)C
InChIInChI=1S/C22H26F2N2/c1-13(2)22-25(20-14(3)9-18(23)10-15(20)4)7-8-26(22)21-16(5)11-19(24)12-17(21)6/h7-13,22H,1-6H3
InChIKeyIQGFHKVRLGUTPY-UHFFFAOYSA-N
MW356.46 g/mol
LogP5.98
Rot. Bonds3

About 1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole

1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole (PubChem CID 154614645) has the molecular formula C22H26F2N2 and a molecular weight of 356.46 g/mol. Its IUPAC name is 1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole
PubChem CID154614645
Molecular FormulaC22H26F2N2
Molecular Weight356.46 g/mol
Exact Mass356.21
IUPAC Name1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole
SMILESCc1cc(F)cc(C)c1N1C=CN(c2c(C)cc(F)cc2C)C1C(C)C
InChIInChI=1S/C22H26F2N2/c1-13(2)22-25(20-14(3)9-18(23)10-15(20)4)7-8-26(22)21-16(5)11-19(24)12-17(21)6/h7-13,22H,1-6H3
InChIKeyIQGFHKVRLGUTPY-UHFFFAOYSA-N
XLogP5.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole?
The IUPAC name of 1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole (CID 154614645) is 1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole?
The canonical SMILES for 1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole is Cc1cc(F)cc(C)c1N1C=CN(c2c(C)cc(F)cc2C)C1C(C)C.
What is the InChIKey of 1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole?
The InChIKey is IQGFHKVRLGUTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2/c1-13(2)22-25(20-14(3)9-18(23)10-15(20)4)7-8-26(22)21-16(5)11-19(24)12-17(21)6/h7-13,22H,1-6H3.
What are the key properties of 1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole?
1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole has a molecular weight of 356.46 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluoro-2,6-dimethylphenyl)-2-propan-2-yl-2H-imidazole is sourced from PubChem (CID 154614645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).