6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole

C13H18N2O — CID 169298302

IUPAC6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole
SMILESCOc1cc(C)c2nc(C)[nH]c2c1C(C)C
InChIInChI=1S/C13H18N2O/c1-7(2)11-10(16-5)6-8(3)12-13(11)15-9(4)14-12/h6-7H,1-5H3,(H,14,15)
InChIKeyYYSOTWILUMIRIV-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.31
Rot. Bonds2

About 6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole

6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole (PubChem CID 169298302) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole
PubChem CID169298302
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole
SMILESCOc1cc(C)c2nc(C)[nH]c2c1C(C)C
InChIInChI=1S/C13H18N2O/c1-7(2)11-10(16-5)6-8(3)12-13(11)15-9(4)14-12/h6-7H,1-5H3,(H,14,15)
InChIKeyYYSOTWILUMIRIV-UHFFFAOYSA-N
XLogP3.31
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole?
The IUPAC name of 6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole (CID 169298302) is 6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole is COc1cc(C)c2nc(C)[nH]c2c1C(C)C.
What is the InChIKey of 6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole?
The InChIKey is YYSOTWILUMIRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-7(2)11-10(16-5)6-8(3)12-13(11)15-9(4)14-12/h6-7H,1-5H3,(H,14,15).
What are the key properties of 6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole?
6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole has a molecular weight of 218.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 169298302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).