5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole

C26H28N2O2 — CID 134179631

IUPAC5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole
SMILESCc1cc2ncn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H28N2O2/c1-17(2)29-22-10-6-20(7-11-22)24-15-26-25(14-19(24)5)27-16-28(26)21-8-12-23(13-9-21)30-18(3)4/h6-18H,1-5H3
InChIKeyXOENKEVKXQUPAY-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.58
Rot. Bonds6

About 5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole

5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole (PubChem CID 134179631) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole.

Molecular Properties

Compound Name5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole
PubChem CID134179631
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole
SMILESCc1cc2ncn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C26H28N2O2/c1-17(2)29-22-10-6-20(7-11-22)24-15-26-25(14-19(24)5)27-16-28(26)21-8-12-23(13-9-21)30-18(3)4/h6-18H,1-5H3
InChIKeyXOENKEVKXQUPAY-UHFFFAOYSA-N
XLogP6.58
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole?
The IUPAC name of 5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole (CID 134179631) is 5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole.
What is the SMILES notation for 5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole?
The canonical SMILES for 5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole is Cc1cc2ncn(-c3ccc(OC(C)C)cc3)c2cc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole?
The InChIKey is XOENKEVKXQUPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-17(2)29-22-10-6-20(7-11-22)24-15-26-25(14-19(24)5)27-16-28(26)21-8-12-23(13-9-21)30-18(3)4/h6-18H,1-5H3.
What are the key properties of 5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole?
5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole has a molecular weight of 400.52 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,6-bis(4-propan-2-yloxyphenyl)benzimidazole is sourced from PubChem (CID 134179631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).