2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole

C26H28N2O — CID 18877935

IUPAC2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole
SMILESCCC(Oc1cccc(C)c1)c1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C26H28N2O/c1-3-25(29-22-15-9-11-20(2)19-22)26-27-23-16-7-8-17-24(23)28(26)18-10-14-21-12-5-4-6-13-21/h4-9,11-13,15-17,19,25H,3,10,14,18H2,1-2H3
InChIKeyJDARHFSFOGDQHZ-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.51
Rot. Bonds8

About 2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole

2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole (PubChem CID 18877935) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole.

Molecular Properties

Compound Name2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole
PubChem CID18877935
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole
SMILESCCC(Oc1cccc(C)c1)c1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C26H28N2O/c1-3-25(29-22-15-9-11-20(2)19-22)26-27-23-16-7-8-17-24(23)28(26)18-10-14-21-12-5-4-6-13-21/h4-9,11-13,15-17,19,25H,3,10,14,18H2,1-2H3
InChIKeyJDARHFSFOGDQHZ-UHFFFAOYSA-N
XLogP6.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylphenoxy)propyl]-1-octadecylbenzimidazole
CID 18877891
1-[4-(4-methylphenoxy)butyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877885
1-[(3-methylphenyl)methyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878014
1-[3-(2,5-dimethylphenoxy)propyl]-2-[1-(3-methylphenoxy)propyl]benzimidazole
CID 18877957
2-[1-(3-methylphenoxy)propyl]-1-(2-methylpropyl)benzimidazole
CID 18877904
2-(1-phenoxypropyl)-1-undecylbenzimidazole
CID 18877986
2-[(1S)-1-(3-methylphenoxy)propyl]-1-prop-2-enylbenzimidazole
CID 51430276
2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 18877927
1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole
CID 18877810
2-[1-(3-methylphenoxy)ethyl]-1-nonylbenzimidazole
CID 18877805
1-[4-(2-methylphenoxy)butyl]-2-(1-phenoxypropyl)benzimidazole
CID 18878039
1-(2-methylprop-2-enyl)-2-[(1S)-1-phenoxypropyl]benzimidazole
CID 51567496

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole?
The IUPAC name of 2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole (CID 18877935) is 2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole.
What is the SMILES notation for 2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole?
The canonical SMILES for 2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole is CCC(Oc1cccc(C)c1)c1nc2ccccc2n1CCCc1ccccc1.
What is the InChIKey of 2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole?
The InChIKey is JDARHFSFOGDQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-3-25(29-22-15-9-11-20(2)19-22)26-27-23-16-7-8-17-24(23)28(26)18-10-14-21-12-5-4-6-13-21/h4-9,11-13,15-17,19,25H,3,10,14,18H2,1-2H3.
What are the key properties of 2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole?
2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole has a molecular weight of 384.52 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenoxy)propyl]-1-(3-phenylpropyl)benzimidazole is sourced from PubChem (CID 18877935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).