2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole

C26H28N2O — CID 17000802

IUPAC2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2CCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C26H28N2O/c1-19(2)22-12-4-7-15-25(22)29-17-9-16-28-24-14-6-5-13-23(24)27-26(28)21-11-8-10-20(3)18-21/h4-8,10-15,18-19H,9,16-17H2,1-3H3
InChIKeyGBYFFEDNJGIAFO-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.60
Rot. Bonds7

About 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole

2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole (PubChem CID 17000802) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
PubChem CID17000802
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2CCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C26H28N2O/c1-19(2)22-12-4-7-15-25(22)29-17-9-16-28-24-14-6-5-13-23(24)27-26(28)21-11-8-10-20(3)18-21/h4-8,10-15,18-19H,9,16-17H2,1-3H3
InChIKeyGBYFFEDNJGIAFO-UHFFFAOYSA-N
XLogP6.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole
CID 18879096
2-(3-methylphenyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17000779
2-(3-bromophenyl)-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazole
CID 18879111
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
2-(4-fluorophenyl)-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 19243170
2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16997901
1-[4-(2,4-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000824
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 17001614
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
2-[(2,5-dimethylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998007
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
2-(3-bromophenyl)-1-[3-(2-methoxyphenoxy)propyl]benzimidazole
CID 17001877

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole (CID 17000802) is 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole is Cc1cccc(-c2nc3ccccc3n2CCCOc2ccccc2C(C)C)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
The InChIKey is GBYFFEDNJGIAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-19(2)22-12-4-7-15-25(22)29-17-9-16-28-24-14-6-5-13-23(24)27-26(28)21-11-8-10-20(3)18-21/h4-8,10-15,18-19H,9,16-17H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole has a molecular weight of 384.52 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 17000802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).