2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole

C32H30N2O — CID 16987427

IUPAC2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
SMILESC=CCc1ccccc1OCCCn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C32H30N2O/c1-2-11-28-14-6-9-17-31(28)35-23-10-22-34-30-16-8-7-15-29(30)33-32(34)24-25-18-20-27(21-19-25)26-12-4-3-5-13-26/h2-9,12-21H,1,10-11,22-24H2
InChIKeyAGLQPZIHVJLTGP-UHFFFAOYSA-N
MW458.61 g/mol
LogP7.49
Rot. Bonds10

About 2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole

2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole (PubChem CID 16987427) has the molecular formula C32H30N2O and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
PubChem CID16987427
Molecular FormulaC32H30N2O
Molecular Weight458.61 g/mol
Exact Mass458.24
IUPAC Name2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
SMILESC=CCc1ccccc1OCCCn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C32H30N2O/c1-2-11-28-14-6-9-17-31(28)35-23-10-22-34-30-16-8-7-15-29(30)33-32(34)24-25-18-20-27(21-19-25)26-12-4-3-5-13-26/h2-9,12-21H,1,10-11,22-24H2
InChIKeyAGLQPZIHVJLTGP-UHFFFAOYSA-N
XLogP7.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylphenyl)-N-[5-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994402
2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16999473
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414
2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001338
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996797
1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987446
2-(3-chlorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17002028
2-phenoxy-N-[2-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978519
3-phenyl-N-[3-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
CID 16986104
1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878122
2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 19243390

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole (CID 16987427) is 2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole is C=CCc1ccccc1OCCCn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of 2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
The InChIKey is AGLQPZIHVJLTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O/c1-2-11-28-14-6-9-17-31(28)35-23-10-22-34-30-16-8-7-15-29(30)33-32(34)24-25-18-20-27(21-19-25)26-12-4-3-5-13-26/h2-9,12-21H,1,10-11,22-24H2.
What are the key properties of 2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole has a molecular weight of 458.61 g/mol, XLogP of 7.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 16987427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).