1,2-dimethyl-3-propan-2-yl-2H-benzimidazole

C12H18N2 — CID 160589142

IUPAC1,2-dimethyl-3-propan-2-yl-2H-benzimidazole
SMILESCC(C)N1c2ccccc2N(C)C1C
InChIInChI=1S/C12H18N2/c1-9(2)14-10(3)13(4)11-7-5-6-8-12(11)14/h5-10H,1-4H3
InChIKeyQKHGADZVOKBRPB-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.70
Rot. Bonds1

About 1,2-dimethyl-3-propan-2-yl-2H-benzimidazole

1,2-dimethyl-3-propan-2-yl-2H-benzimidazole (PubChem CID 160589142) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1,2-dimethyl-3-propan-2-yl-2H-benzimidazole.

Molecular Properties

Compound Name1,2-dimethyl-3-propan-2-yl-2H-benzimidazole
PubChem CID160589142
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1,2-dimethyl-3-propan-2-yl-2H-benzimidazole
SMILESCC(C)N1c2ccccc2N(C)C1C
InChIInChI=1S/C12H18N2/c1-9(2)14-10(3)13(4)11-7-5-6-8-12(11)14/h5-10H,1-4H3
InChIKeyQKHGADZVOKBRPB-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-1-propan-2-yl-3-(trideuteriomethyl)-2H-benzimidazole
CID 176645790
cyclobutane;2-methyl-1,3-di(propan-2-yl)-2H-benzo[f]benzimidazole
CID 161395735
2-methoxy-1,3-dimethyl-2H-benzimidazole
CID 58577333
(2R)-2-methyl-3-(2-methylphenyl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 118084606
(2S)-1-[6-[(2R)-2,3-dimethyl-2H-benzimidazol-1-yl]-1-methylpyridin-1-ium-2-yl]-2,3-dimethyl-2H-benzimidazole
CID 123501271
bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
CID 160784637
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
(2R)-1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole
CID 58240298
1,5-dimethyl-4-phenyl-3-propan-2-ylimidazolidin-2-one
CID 20685332
1-(cyclobutylmethyl)-2,3-dimethyl-2H-benzimidazole
CID 167159789
(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole
CID 118314581

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-propan-2-yl-2H-benzimidazole?
The IUPAC name of 1,2-dimethyl-3-propan-2-yl-2H-benzimidazole (CID 160589142) is 1,2-dimethyl-3-propan-2-yl-2H-benzimidazole.
What is the SMILES notation for 1,2-dimethyl-3-propan-2-yl-2H-benzimidazole?
The canonical SMILES for 1,2-dimethyl-3-propan-2-yl-2H-benzimidazole is CC(C)N1c2ccccc2N(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-propan-2-yl-2H-benzimidazole?
The InChIKey is QKHGADZVOKBRPB-UHFFFAOYSA-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.
What are the key properties of 1,2-dimethyl-3-propan-2-yl-2H-benzimidazole?
1,2-dimethyl-3-propan-2-yl-2H-benzimidazole has a molecular weight of 190.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-propan-2-yl-2H-benzimidazole is sourced from PubChem (CID 160589142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).