(2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole

C26H35FN2 — CID 176756537

IUPAC(2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
SMILESCc1ccccc1N1C=CN(c2c(C(C)C)cc(C(C)(C)F)cc2C(C)C)[C@@H]1C
InChIInChI=1S/C26H35FN2/c1-17(2)22-15-21(26(7,8)27)16-23(18(3)4)25(22)29-14-13-28(20(29)6)24-12-10-9-11-19(24)5/h9-18,20H,1-8H3/t20-/m1/s1
InChIKeyAYVQWDUVCRVLQE-HXUWFJFHSA-N
MW394.58 g/mol
LogP7.59
Rot. Bonds5

About (2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole

(2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole (PubChem CID 176756537) has the molecular formula C26H35FN2 and a molecular weight of 394.58 g/mol. Its IUPAC name is (2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole.

Molecular Properties

Compound Name(2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
PubChem CID176756537
Molecular FormulaC26H35FN2
Molecular Weight394.58 g/mol
Exact Mass394.28
IUPAC Name(2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
SMILESCc1ccccc1N1C=CN(c2c(C(C)C)cc(C(C)(C)F)cc2C(C)C)[C@@H]1C
InChIInChI=1S/C26H35FN2/c1-17(2)22-15-21(26(7,8)27)16-23(18(3)4)25(22)29-14-13-28(20(29)6)24-12-10-9-11-19(24)5/h9-18,20H,1-8H3/t20-/m1/s1
InChIKeyAYVQWDUVCRVLQE-HXUWFJFHSA-N
XLogP7.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.58
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole?
The IUPAC name of (2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole (CID 176756537) is (2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole.
What is the SMILES notation for (2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole?
The canonical SMILES for (2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole is Cc1ccccc1N1C=CN(c2c(C(C)C)cc(C(C)(C)F)cc2C(C)C)[C@@H]1C.
What is the InChIKey of (2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole?
The InChIKey is AYVQWDUVCRVLQE-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H35FN2/c1-17(2)22-15-21(26(7,8)27)16-23(18(3)4)25(22)29-14-13-28(20(29)6)24-12-10-9-11-19(24)5/h9-18,20H,1-8H3/t20-/m1/s1.
What are the key properties of (2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole?
(2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole has a molecular weight of 394.58 g/mol, XLogP of 7.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-fluoropropan-2-yl)-2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole is sourced from PubChem (CID 176756537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).