2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole

C31H32N2O2 — CID 18879369

IUPAC2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
SMILESCc1ccc(C(C)C)c(OCc2nc3ccccc3n2CCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C31H32N2O2/c1-22(2)27-16-13-23(3)19-30(27)35-21-31-32-28-11-6-7-12-29(28)33(31)17-8-18-34-26-15-14-24-9-4-5-10-25(24)20-26/h4-7,9-16,19-20,22H,8,17-18,21H2,1-3H3
InChIKeyFCWLZRBCINHTPD-UHFFFAOYSA-N
MW464.61 g/mol
LogP7.67
Rot. Bonds9

About 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole

2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole (PubChem CID 18879369) has the molecular formula C31H32N2O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole.

Molecular Properties

Compound Name2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
PubChem CID18879369
Molecular FormulaC31H32N2O2
Molecular Weight464.61 g/mol
Exact Mass464.25
IUPAC Name2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
SMILESCc1ccc(C(C)C)c(OCc2nc3ccccc3n2CCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C31H32N2O2/c1-22(2)27-16-13-23(3)19-30(27)35-21-31-32-28-11-6-7-12-29(28)33(31)17-8-18-34-26-15-14-24-9-4-5-10-25(24)20-26/h4-7,9-16,19-20,22H,8,17-18,21H2,1-3H3
InChIKeyFCWLZRBCINHTPD-UHFFFAOYSA-N
XLogP7.67
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3,4-dimethylphenoxy)propyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997636
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879368
1-[4-(3-methoxyphenoxy)butyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997655
1-heptyl-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997577
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997646
2-[(2,5-dimethylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998007
2-[(3-methylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16997901
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999241
2-(methoxymethyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996886
2-[(2-chlorophenoxy)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16997336
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazole
CID 16998023
2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The IUPAC name of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole (CID 18879369) is 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole.
What is the SMILES notation for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The canonical SMILES for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole is Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2CCCOc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The InChIKey is FCWLZRBCINHTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O2/c1-22(2)27-16-13-23(3)19-30(27)35-21-31-32-28-11-6-7-12-29(28)33(31)17-8-18-34-26-15-14-24-9-4-5-10-25(24)20-26/h4-7,9-16,19-20,22H,8,17-18,21H2,1-3H3.
What are the key properties of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole has a molecular weight of 464.61 g/mol, XLogP of 7.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole is sourced from PubChem (CID 18879369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).