2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole

C28H24N2O3 — CID 168555593

IUPAC2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
SMILESc1ccc(COc2ccc(OCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1
InChIInChI=1S/C28H24N2O3/c1-2-6-21(7-3-1)20-33-25-16-14-24(15-17-25)32-19-18-31-23-12-10-22(11-13-23)28-29-26-8-4-5-9-27(26)30-28/h1-17H,18-20H2,(H,29,30)
InChIKeyPNZYRMGRAIVGEY-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.27
Rot. Bonds9

About 2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole

2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole (PubChem CID 168555593) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
PubChem CID168555593
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
SMILESc1ccc(COc2ccc(OCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1
InChIInChI=1S/C28H24N2O3/c1-2-6-21(7-3-1)20-33-25-16-14-24(15-17-25)32-19-18-31-23-12-10-22(11-13-23)28-29-26-8-4-5-9-27(26)30-28/h1-17H,18-20H2,(H,29,30)
InChIKeyPNZYRMGRAIVGEY-UHFFFAOYSA-N
XLogP6.27
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine
CID 19938404
3-[4-[[4-(1H-benzimidazol-2-yl)phenyl]methoxy]phenyl]hex-4-ynoic acid
CID 59132653
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90357310
5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole
CID 110535345
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
azane;2-phenyl-1H-benzimidazole
CID 172858780

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole (CID 168555593) is 2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole is c1ccc(COc2ccc(OCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole?
The InChIKey is PNZYRMGRAIVGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-2-6-21(7-3-1)20-33-25-16-14-24(15-17-25)32-19-18-31-23-12-10-22(11-13-23)28-29-26-8-4-5-9-27(26)30-28/h1-17H,18-20H2,(H,29,30).
What are the key properties of 2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole?
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole has a molecular weight of 436.51 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).