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

C19H22N2O — CID 110538872

IUPAC5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole
SMILESCc1cc2nc(-c3ccccc3OCC(C)C)[nH]c2cc1C
InChIInChI=1S/C19H22N2O/c1-12(2)11-22-18-8-6-5-7-15(18)19-20-16-9-13(3)14(4)10-17(16)21-19/h5-10,12H,11H2,1-4H3,(H,20,21)
InChIKeyMDCQVMINADMMDJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.88
Rot. Bonds4

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

5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole (PubChem CID 110538872) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole
PubChem CID110538872
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole
SMILESCc1cc2nc(-c3ccccc3OCC(C)C)[nH]c2cc1C
InChIInChI=1S/C19H22N2O/c1-12(2)11-22-18-8-6-5-7-15(18)19-20-16-9-13(3)14(4)10-17(16)21-19/h5-10,12H,11H2,1-4H3,(H,20,21)
InChIKeyMDCQVMINADMMDJ-UHFFFAOYSA-N
XLogP4.88
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110538773
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid
CID 46997995
5,6-dimethoxy-2-[4-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110537311
2-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534204
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 137084101
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(4-fluoro-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 112688356
2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole
CID 56737110
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 62337492

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole (CID 110538872) is 5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole is Cc1cc2nc(-c3ccccc3OCC(C)C)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole?
The InChIKey is MDCQVMINADMMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-12(2)11-22-18-8-6-5-7-15(18)19-20-16-9-13(3)14(4)10-17(16)21-19/h5-10,12H,11H2,1-4H3,(H,20,21).
What are the key properties of 5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole?
5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole has a molecular weight of 294.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 110538872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).