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

C27H30N2O2 — CID 16997901

IUPAC2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
SMILESCc1cccc(OCc2nc3ccccc3n2CCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C27H30N2O2/c1-20(2)23-12-4-7-15-26(23)30-17-9-16-29-25-14-6-5-13-24(25)28-27(29)19-31-22-11-8-10-21(3)18-22/h4-8,10-15,18,20H,9,16-17,19H2,1-3H3
InChIKeyFUYQIMQPCQLZEY-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.52
Rot. Bonds9

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

2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole (PubChem CID 16997901) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
PubChem CID16997901
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
SMILESCc1cccc(OCc2nc3ccccc3n2CCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C27H30N2O2/c1-20(2)23-12-4-7-15-26(23)30-17-9-16-29-25-14-6-5-13-24(25)28-27(29)19-31-22-11-8-10-21(3)18-22/h4-8,10-15,18,20H,9,16-17,19H2,1-3H3
InChIKeyFUYQIMQPCQLZEY-UHFFFAOYSA-N
XLogP6.52
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dimethylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998007
1-[3-(3-methylphenoxy)propyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999387
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16998023
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879368
2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 17000802
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879369
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
2-[(3-methylphenoxy)methyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16997931
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
1-[4-(3-methoxyphenoxy)butyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997655

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole (CID 16997901) is 2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole is Cc1cccc(OCc2nc3ccccc3n2CCCOc2ccccc2C(C)C)c1.
What is the InChIKey of 2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
The InChIKey is FUYQIMQPCQLZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-20(2)23-12-4-7-15-26(23)30-17-9-16-29-25-14-6-5-13-24(25)28-27(29)19-31-22-11-8-10-21(3)18-22/h4-8,10-15,18,20H,9,16-17,19H2,1-3H3.
What are the key properties of 2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole?
2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole has a molecular weight of 414.55 g/mol, XLogP of 6.52, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 16997901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).