1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole

C29H42N2 — CID 59439597

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
SMILESCC1=C(C)N(c2c(C(C)C)cccc2C(C)C)CN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H42N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8/h11-16,18-21H,17H2,1-10H3
InChIKeyHYODHSLKUWIPFA-UHFFFAOYSA-N
MW418.67 g/mol
LogP8.72
Rot. Bonds6

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole (PubChem CID 59439597) has the molecular formula C29H42N2 and a molecular weight of 418.67 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
PubChem CID59439597
Molecular FormulaC29H42N2
Molecular Weight418.67 g/mol
Exact Mass418.33
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
SMILESCC1=C(C)N(c2c(C(C)C)cccc2C(C)C)CN1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H42N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8/h11-16,18-21H,17H2,1-10H3
InChIKeyHYODHSLKUWIPFA-UHFFFAOYSA-N
XLogP8.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole (CID 59439597) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole is CC1=C(C)N(c2c(C(C)C)cccc2C(C)C)CN1c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole?
The InChIKey is HYODHSLKUWIPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8/h11-16,18-21H,17H2,1-10H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole?
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole has a molecular weight of 418.67 g/mol, XLogP of 8.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole is sourced from PubChem (CID 59439597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).