2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole

C18H20N2O2 — CID 110538781

IUPAC2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
SMILESCCCCOc1cccc(-c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C18H20N2O2/c1-3-4-10-22-15-7-5-6-13(11-15)18-19-16-9-8-14(21-2)12-17(16)20-18/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,20)
InChIKeyVGRVQNIYBGSWGX-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.42
Rot. Bonds6

About 2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole

2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole (PubChem CID 110538781) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
PubChem CID110538781
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
SMILESCCCCOc1cccc(-c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C18H20N2O2/c1-3-4-10-22-15-7-5-6-13(11-15)18-19-16-9-8-14(21-2)12-17(16)20-18/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,20)
InChIKeyVGRVQNIYBGSWGX-UHFFFAOYSA-N
XLogP4.42
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.42
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

3-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 754001
2-(3-butoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 166963203
5,6-dichloro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 82005589
2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756453
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
4-(6-propoxy-1H-benzimidazol-2-yl)aniline
CID 82331892
methyl 2-(3-ethoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902839
ethyl 4-[4-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]butanoate
CID 103597171
2-(4-hexoxy-3-methoxy-5-nitrophenyl)-6-methoxy-1H-benzimidazole
CID 110532489
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
2-[4-(4-dodecoxyphenyl)phenyl]-6-methyl-1H-benzimidazole
CID 102447965

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole (CID 110538781) is 2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole is CCCCOc1cccc(-c2nc3ccc(OC)cc3[nH]2)c1.
What is the InChIKey of 2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole?
The InChIKey is VGRVQNIYBGSWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-4-10-22-15-7-5-6-13(11-15)18-19-16-9-8-14(21-2)12-17(16)20-18/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole?
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole has a molecular weight of 296.37 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 110538781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).