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

C25H26N2O2 — CID 134179585

IUPAC1,6-bis(4-propan-2-yloxyphenyl)benzimidazole
SMILESCC(C)Oc1ccc(-c2ccc3ncn(-c4ccc(OC(C)C)cc4)c3c2)cc1
InChIInChI=1S/C25H26N2O2/c1-17(2)28-22-10-5-19(6-11-22)20-7-14-24-25(15-20)27(16-26-24)21-8-12-23(13-9-21)29-18(3)4/h5-18H,1-4H3
InChIKeyBDRNXXWLNZTHNA-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.27
Rot. Bonds6

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

1,6-bis(4-propan-2-yloxyphenyl)benzimidazole (PubChem CID 134179585) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1,6-bis(4-propan-2-yloxyphenyl)benzimidazole.

Molecular Properties

Compound Name1,6-bis(4-propan-2-yloxyphenyl)benzimidazole
PubChem CID134179585
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1,6-bis(4-propan-2-yloxyphenyl)benzimidazole
SMILESCC(C)Oc1ccc(-c2ccc3ncn(-c4ccc(OC(C)C)cc4)c3c2)cc1
InChIInChI=1S/C25H26N2O2/c1-17(2)28-22-10-5-19(6-11-22)20-7-14-24-25(15-20)27(16-26-24)21-8-12-23(13-9-21)29-18(3)4/h5-18H,1-4H3
InChIKeyBDRNXXWLNZTHNA-UHFFFAOYSA-N
XLogP6.27
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Etodesnitazene
CID 149797386
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
Metodesnitazene
CID 26412
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
5-methoxy-6-methyl-1-phenyl-1H-1,3-benzodiazole
CID 5328528
5-Substituted 1-Phenylbenzimidazole 43
CID 5328533
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
CID 5329338
Benzimidazole deriv. 5
CID 5329405

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)benzimidazole?
The IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)benzimidazole (CID 134179585) is 1,6-bis(4-propan-2-yloxyphenyl)benzimidazole.
What is the SMILES notation for 1,6-bis(4-propan-2-yloxyphenyl)benzimidazole?
The canonical SMILES for 1,6-bis(4-propan-2-yloxyphenyl)benzimidazole is CC(C)Oc1ccc(-c2ccc3ncn(-c4ccc(OC(C)C)cc4)c3c2)cc1.
What is the InChIKey of 1,6-bis(4-propan-2-yloxyphenyl)benzimidazole?
The InChIKey is BDRNXXWLNZTHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-17(2)28-22-10-5-19(6-11-22)20-7-14-24-25(15-20)27(16-26-24)21-8-12-23(13-9-21)29-18(3)4/h5-18H,1-4H3.
What are the key properties of 1,6-bis(4-propan-2-yloxyphenyl)benzimidazole?
1,6-bis(4-propan-2-yloxyphenyl)benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-propan-2-yloxyphenyl)benzimidazole is sourced from PubChem (CID 134179585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).