2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

C12H21N3O — CID 103022949

IUPAC2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCOC(C)(C)c1nc2c(n1C)CCC(N)C2
InChIInChI=1S/C12H21N3O/c1-12(2,16-4)11-14-9-7-8(13)5-6-10(9)15(11)3/h8H,5-7,13H2,1-4H3
InChIKeyKQGFYGGOGUHFPX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds2

About 2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (PubChem CID 103022949) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
PubChem CID103022949
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCOC(C)(C)c1nc2c(n1C)CCC(N)C2
InChIInChI=1S/C12H21N3O/c1-12(2,16-4)11-14-9-7-8(13)5-6-10(9)15(11)3/h8H,5-7,13H2,1-4H3
InChIKeyKQGFYGGOGUHFPX-UHFFFAOYSA-N
XLogP1.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The IUPAC name of 2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (CID 103022949) is 2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is COC(C)(C)c1nc2c(n1C)CCC(N)C2.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The InChIKey is KQGFYGGOGUHFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,16-4)11-14-9-7-8(13)5-6-10(9)15(11)3/h8H,5-7,13H2,1-4H3.
What are the key properties of 2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine has a molecular weight of 223.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is sourced from PubChem (CID 103022949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).