2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole

C28H26N2O2 — CID 18879090

IUPAC2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H26N2O2/c1-31-24-14-11-21(12-15-24)19-28-29-26-9-4-5-10-27(26)30(28)17-6-18-32-25-16-13-22-7-2-3-8-23(22)20-25/h2-5,7-16,20H,6,17-19H2,1H3
InChIKeyLDOWDBVECNFPLN-UHFFFAOYSA-N
MW422.53 g/mol
LogP6.26
Rot. Bonds8

About 2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole

2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole (PubChem CID 18879090) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
PubChem CID18879090
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H26N2O2/c1-31-24-14-11-21(12-15-24)19-28-29-26-9-4-5-10-27(26)30(28)17-6-18-32-25-16-13-22-7-2-3-8-23(22)20-25/h2-5,7-16,20H,6,17-19H2,1H3
InChIKeyLDOWDBVECNFPLN-UHFFFAOYSA-N
XLogP6.26
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.26
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-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987446
1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995937
2-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16995599
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
CID 177375660
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995940
2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 18878538
2-benzyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995600
1-[4-(2,4-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995939
2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 18878460
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987436
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole (CID 18879090) is 2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole is COc1ccc(Cc2nc3ccccc3n2CCCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
The InChIKey is LDOWDBVECNFPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-31-24-14-11-21(12-15-24)19-28-29-26-9-4-5-10-27(26)30(28)17-6-18-32-25-16-13-22-7-2-3-8-23(22)20-25/h2-5,7-16,20H,6,17-19H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole?
2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole has a molecular weight of 422.53 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole is sourced from PubChem (CID 18879090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).