2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole

C20H24N2O2 — CID 19224099

IUPAC2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
SMILESCCCCCCOc1ccc(-c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C20H24N2O2/c1-3-4-5-8-13-24-18-12-11-15(14-19(18)23-2)20-21-16-9-6-7-10-17(16)22-20/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,21,22)
InChIKeySBAXAUIFGCMSRD-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.20
Rot. Bonds8

About 2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole

2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole (PubChem CID 19224099) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
PubChem CID19224099
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
SMILESCCCCCCOc1ccc(-c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C20H24N2O2/c1-3-4-5-8-13-24-18-12-11-15(14-19(18)23-2)20-21-16-9-6-7-10-17(16)22-20/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,21,22)
InChIKeySBAXAUIFGCMSRD-UHFFFAOYSA-N
XLogP5.20
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
2-(3-bromo-4-hexoxy-5-methoxyphenyl)-1H-benzimidazole
CID 19224134
2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole
CID 168553903
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-(4-butoxy-3-methoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902943
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 19224198
2-(2-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 168553618
2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole
CID 168554882
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
CID 168553533

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole (CID 19224099) is 2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole is CCCCCCOc1ccc(-c2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of 2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole?
The InChIKey is SBAXAUIFGCMSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-4-5-8-13-24-18-12-11-15(14-19(18)23-2)20-21-16-9-6-7-10-17(16)22-20/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole?
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole has a molecular weight of 324.42 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 19224099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).