5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole

C19H22N2O3 — CID 110537311

IUPAC5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole
SMILESCOc1cc2nc(-c3ccc(OCC(C)C)cc3)[nH]c2cc1OC
InChIInChI=1S/C19H22N2O3/c1-12(2)11-24-14-7-5-13(6-8-14)19-20-15-9-17(22-3)18(23-4)10-16(15)21-19/h5-10,12H,11H2,1-4H3,(H,20,21)
InChIKeyJNYSCIOKDRWSCC-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.28
Rot. Bonds6

About 5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole

5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole (PubChem CID 110537311) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole
PubChem CID110537311
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole
SMILESCOc1cc2nc(-c3ccc(OCC(C)C)cc3)[nH]c2cc1OC
InChIInChI=1S/C19H22N2O3/c1-12(2)11-24-14-7-5-13(6-8-14)19-20-15-9-17(22-3)18(23-4)10-16(15)21-19/h5-10,12H,11H2,1-4H3,(H,20,21)
InChIKeyJNYSCIOKDRWSCC-UHFFFAOYSA-N
XLogP4.28
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(3-bromo-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110534918
2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110533986
2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110536356
5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110538872
5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811507
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
CID 142742969
2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 106688276
3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 136710701
5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 62874984
5-(1H-benzimidazol-2-yl)-2-(2-methylpropoxy)aniline
CID 82144256
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole (CID 110537311) is 5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole is COc1cc2nc(-c3ccc(OCC(C)C)cc3)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole?
The InChIKey is JNYSCIOKDRWSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(2)11-24-14-7-5-13(6-8-14)19-20-15-9-17(22-3)18(23-4)10-16(15)21-19/h5-10,12H,11H2,1-4H3,(H,20,21).
What are the key properties of 5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole?
5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole has a molecular weight of 326.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 110537311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).