2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole

C12H20N2O — CID 103022933

IUPAC2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCOC(C)(C)c1nc2c([nH]1)CCCC2C
InChIInChI=1S/C12H20N2O/c1-8-6-5-7-9-10(8)14-11(13-9)12(2,3)15-4/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyOVZHVTDIKBEVQY-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.73
Rot. Bonds2

About 2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole

2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 103022933) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID103022933
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCOC(C)(C)c1nc2c([nH]1)CCCC2C
InChIInChI=1S/C12H20N2O/c1-8-6-5-7-9-10(8)14-11(13-9)12(2,3)15-4/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyOVZHVTDIKBEVQY-UHFFFAOYSA-N
XLogP2.73
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole (CID 103022933) is 2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole is COC(C)(C)c1nc2c([nH]1)CCCC2C.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is OVZHVTDIKBEVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-6-5-7-9-10(8)14-11(13-9)12(2,3)15-4/h8H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole?
2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 208.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 103022933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).