2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole

C18H20N2O — CID 168554417

IUPAC2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
SMILESCC(C)CCOc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N2O/c1-13(2)11-12-21-17-10-6-3-7-14(17)18-19-15-8-4-5-9-16(15)20-18/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyBZUXRGSLYFUZKQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.65
Rot. Bonds5

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

2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole (PubChem CID 168554417) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
PubChem CID168554417
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
SMILESCC(C)CCOc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N2O/c1-13(2)11-12-21-17-10-6-3-7-14(17)18-19-15-8-4-5-9-16(15)20-18/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKeyBZUXRGSLYFUZKQ-UHFFFAOYSA-N
XLogP4.65
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 19224198
2-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-benzimidazole
CID 42632541
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110538872
N-[[2-(1H-benzimidazol-2-yl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 168553825
1-[2-[2-(1H-benzimidazol-2-yl)phenoxy]ethyl]pyrrolidin-2-one
CID 168555244
2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole
CID 168554331
2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 3329340
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine
CID 23966713
2-[2-(3-methylbutoxy)phenyl]phenol
CID 58560440

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole (CID 168554417) is 2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole is CC(C)CCOc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole?
The InChIKey is BZUXRGSLYFUZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(2)11-12-21-17-10-6-3-7-14(17)18-19-15-8-4-5-9-16(15)20-18/h3-10,13H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole?
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168554417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).