2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole

C23H22N2O — CID 168555310

IUPAC2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole
SMILESCC(C)(C)c1cccc(Oc2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H22N2O/c1-23(2,3)16-9-8-10-17(15-16)26-21-14-7-4-11-18(21)22-24-19-12-5-6-13-20(19)25-22/h4-15H,1-3H3,(H,24,25)
InChIKeyFPPMCGPQWUTMQJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP6.32
Rot. Bonds3

About 2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole

2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole (PubChem CID 168555310) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole
PubChem CID168555310
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole
SMILESCC(C)(C)c1cccc(Oc2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H22N2O/c1-23(2,3)16-9-8-10-17(15-16)26-21-14-7-4-11-18(21)22-24-19-12-5-6-13-20(19)25-22/h4-15H,1-3H3,(H,24,25)
InChIKeyFPPMCGPQWUTMQJ-UHFFFAOYSA-N
XLogP6.32
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(1H-benzimidazol-2-yl)phenoxy]phenyl]acetamide
CID 168555488
2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
CID 68842284
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-[3-nitro-4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
CID 168553604
2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
CID 105063747
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
CID 168555188
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276
ethyl 5-[2-(3-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxylate
CID 169401331
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol
CID 122211363

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole (CID 168555310) is 2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole is CC(C)(C)c1cccc(Oc2ccccc2-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole?
The InChIKey is FPPMCGPQWUTMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-23(2,3)16-9-8-10-17(15-16)26-21-14-7-4-11-18(21)22-24-19-12-5-6-13-20(19)25-22/h4-15H,1-3H3,(H,24,25).
What are the key properties of 2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole?
2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole has a molecular weight of 342.44 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-tert-butylphenoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).