(2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole

C12H18N2 — CID 176645790

IUPAC(2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole
SMILES[2H]C([2H])([2H])N1c2ccccc2N(C(C)C)[C@@H]1C
InChIInChI=1S/C12H18N2/c1-9(2)14-10(3)13(4)11-7-5-6-8-12(11)14/h5-10H,1-4H3/t10-/m1/s1/i4D3
InChIKeyQKHGADZVOKBRPB-MPKIDMPZSA-N
MW193.31 g/mol
LogP2.70
Rot. Bonds2

About (2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole

(2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole (PubChem CID 176645790) has the molecular formula C12H18N2 and a molecular weight of 193.31 g/mol. Its IUPAC name is (2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole.

Molecular Properties

Compound Name(2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole
PubChem CID176645790
Molecular FormulaC12H18N2
Molecular Weight193.31 g/mol
Exact Mass193.17
IUPAC Name(2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole
SMILES[2H]C([2H])([2H])N1c2ccccc2N(C(C)C)[C@@H]1C
InChIInChI=1S/C12H18N2/c1-9(2)14-10(3)13(4)11-7-5-6-8-12(11)14/h5-10H,1-4H3/t10-/m1/s1/i4D3
InChIKeyQKHGADZVOKBRPB-MPKIDMPZSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-3-propan-2-yl-2H-benzimidazole
CID 160589142
cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole
CID 161395735
(2R)-2-methyl-3-(2-methylphenyl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 118084606
1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;bis(1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole);2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-benzimidazole
CID 162301812
8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 162301926
bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 162301832
(2S)-1-[2,5-dimethyl-3-[(2R)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]phenyl]-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-methyl-2H-benzimidazole
CID 118409999
1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-benzimidazole
CID 162301817
4-tert-butyl-1,3-dimethyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-2,3-benzazaborinine
CID 162004307
7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118083721
(2R)-1-[2,5-dimethyl-3-(2-methylpyridin-1-ium-1-yl)phenyl]-2-methyl-3-propan-2-yl-2H-benzimidazole
CID 157103761
2-methoxy-1,3-dimethyl-2H-benzimidazole
CID 58577333

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole?
The IUPAC name of (2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole (CID 176645790) is (2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole.
What is the SMILES notation for (2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole?
The canonical SMILES for (2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole is [2H]C([2H])([2H])N1c2ccccc2N(C(C)C)[C@@H]1C.
What is the InChIKey of (2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole?
The InChIKey is QKHGADZVOKBRPB-MPKIDMPZSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)14-10(3)13(4)11-7-5-6-8-12(11)14/h5-10H,1-4H3/t10-/m1/s1/i4D3.
What are the key properties of (2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole?
(2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole has a molecular weight of 193.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole is sourced from PubChem (CID 176645790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).