2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol

C18H20N2O2 — CID 136726170

IUPAC2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
SMILESCCCCn1c(-c2ccc(OC)cc2O)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-3-4-11-20-16-8-6-5-7-15(16)19-18(20)14-10-9-13(22-2)12-17(14)21/h5-10,12,21H,3-4,11H2,1-2H3
InChIKeyCWNDXLUCQJXIGQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.22
Rot. Bonds5

About 2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol

2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol (PubChem CID 136726170) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
PubChem CID136726170
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
SMILESCCCCn1c(-c2ccc(OC)cc2O)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-3-4-11-20-16-8-6-5-7-15(16)19-18(20)14-10-9-13(22-2)12-17(14)21/h5-10,12,21H,3-4,11H2,1-2H3
InChIKeyCWNDXLUCQJXIGQ-UHFFFAOYSA-N
XLogP4.22
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
4-methoxy-2-(1-propylbenzimidazol-2-yl)aniline
CID 115411295
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
CID 17000704
2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16987595
2-[(E)-(1-hexadecylbenzimidazol-2-yl)iminomethyl]-4-methoxyphenol
CID 135549648
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline
CID 82334366
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610

Frequently Asked Questions

What is the IUPAC name of 2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol?
The IUPAC name of 2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol (CID 136726170) is 2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol.
What is the SMILES notation for 2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol?
The canonical SMILES for 2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol is CCCCn1c(-c2ccc(OC)cc2O)nc2ccccc21.
What is the InChIKey of 2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol?
The InChIKey is CWNDXLUCQJXIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-4-11-20-16-8-6-5-7-15(16)19-18(20)14-10-9-13(22-2)12-17(14)21/h5-10,12,21H,3-4,11H2,1-2H3.
What are the key properties of 2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol?
2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol has a molecular weight of 296.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol is sourced from PubChem (CID 136726170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).