3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole

C12H18N2 — CID 123440292

IUPAC3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole
SMILESCC1Nc2ccccc2N1C(C)(C)C
InChIInChI=1S/C12H18N2/c1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4/h5-9,13H,1-4H3
InChIKeyUREDDQYKOIAJHB-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.06
Rot. Bonds

About 3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole

3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole (PubChem CID 123440292) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole
PubChem CID123440292
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole
SMILESCC1Nc2ccccc2N1C(C)(C)C
InChIInChI=1S/C12H18N2/c1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4/h5-9,13H,1-4H3
InChIKeyUREDDQYKOIAJHB-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3-dimethyl-1,2-dihydrobenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole?
The IUPAC name of 3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole (CID 123440292) is 3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole is CC1Nc2ccccc2N1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole?
The InChIKey is UREDDQYKOIAJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4/h5-9,13H,1-4H3.
What are the key properties of 3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole?
3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole has a molecular weight of 190.29 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 123440292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).