2,2-dimethylpropane;1-methylbenzimidazole

C13H20N2 — CID 167554382

IUPAC2,2-dimethylpropane;1-methylbenzimidazole
SMILESCC(C)(C)C.Cn1cnc2ccccc21
InChIInChI=1S/C8H8N2.C5H12/c1-10-6-9-7-4-2-3-5-8(7)10;1-5(2,3)4/h2-6H,1H3;1-4H3
InChIKeyCUXJOEUSUSSNHR-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.63
Rot. Bonds

About 2,2-dimethylpropane;1-methylbenzimidazole

2,2-dimethylpropane;1-methylbenzimidazole (PubChem CID 167554382) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2,2-dimethylpropane;1-methylbenzimidazole.

Molecular Properties

Compound Name2,2-dimethylpropane;1-methylbenzimidazole
PubChem CID167554382
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2,2-dimethylpropane;1-methylbenzimidazole
SMILESCC(C)(C)C.Cn1cnc2ccccc21
InChIInChI=1S/C8H8N2.C5H12/c1-10-6-9-7-4-2-3-5-8(7)10;1-5(2,3)4/h2-6H,1H3;1-4H3
InChIKeyCUXJOEUSUSSNHR-UHFFFAOYSA-N
XLogP3.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 171501747
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1-hydroxybenzimidazole;hydrate
CID 22048229
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;1-methylbenzimidazole?
The IUPAC name of 2,2-dimethylpropane;1-methylbenzimidazole (CID 167554382) is 2,2-dimethylpropane;1-methylbenzimidazole.
What is the SMILES notation for 2,2-dimethylpropane;1-methylbenzimidazole?
The canonical SMILES for 2,2-dimethylpropane;1-methylbenzimidazole is CC(C)(C)C.Cn1cnc2ccccc21.
What is the InChIKey of 2,2-dimethylpropane;1-methylbenzimidazole?
The InChIKey is CUXJOEUSUSSNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C5H12/c1-10-6-9-7-4-2-3-5-8(7)10;1-5(2,3)4/h2-6H,1H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;1-methylbenzimidazole?
2,2-dimethylpropane;1-methylbenzimidazole has a molecular weight of 204.32 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;1-methylbenzimidazole is sourced from PubChem (CID 167554382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).