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

C27H38N2 — CID 12058007

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1
InChIInChI=1S/C27H38N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-16,18-21H,17H2,1-8H3
InChIKeyNJLYZISHBSABMZ-UHFFFAOYSA-N
MW390.62 g/mol
LogP7.94
Rot. Bonds6

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

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole (PubChem CID 12058007) has the molecular formula C27H38N2 and a molecular weight of 390.62 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole
PubChem CID12058007
Molecular FormulaC27H38N2
Molecular Weight390.62 g/mol
Exact Mass390.30
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1
InChIInChI=1S/C27H38N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-16,18-21H,17H2,1-8H3
InChIKeyNJLYZISHBSABMZ-UHFFFAOYSA-N
XLogP7.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.62
LogP ≤ 57.94
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]-2H-imidazole?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole (CID 12058007) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1.
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole?
The InChIKey is NJLYZISHBSABMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-16,18-21H,17H2,1-8H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole?
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole has a molecular weight of 390.62 g/mol, XLogP of 7.94, 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]-2H-imidazole is sourced from PubChem (CID 12058007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).