1-tert-butyl-6-methoxybenzimidazole

C12H16N2O — CID 21460432

IUPAC1-tert-butyl-6-methoxybenzimidazole
SMILESCOc1ccc2ncn(C(C)(C)C)c2c1
InChIInChI=1S/C12H16N2O/c1-12(2,3)14-8-13-10-6-5-9(15-4)7-11(10)14/h5-8H,1-4H3
InChIKeyINEXPFHRATXUEZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.80
Rot. Bonds1

About 1-tert-butyl-6-methoxybenzimidazole

1-tert-butyl-6-methoxybenzimidazole (PubChem CID 21460432) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-tert-butyl-6-methoxybenzimidazole.

Molecular Properties

Compound Name1-tert-butyl-6-methoxybenzimidazole
PubChem CID21460432
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-tert-butyl-6-methoxybenzimidazole
SMILESCOc1ccc2ncn(C(C)(C)C)c2c1
InChIInChI=1S/C12H16N2O/c1-12(2,3)14-8-13-10-6-5-9(15-4)7-11(10)14/h5-8H,1-4H3
InChIKeyINEXPFHRATXUEZ-UHFFFAOYSA-N
XLogP2.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butylbenzimidazol-5-amine
CID 134239532
6-methoxy-1-phenylbenzimidazole
CID 652633
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
5-bromo-1-tert-butyl-6-fluorobenzimidazole
CID 46739609
4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid
CID 100986935
5-methoxy-1-oxidobenzimidazole
CID 87206335
1-tert-butyl-5-isocyanobenzimidazole
CID 140846005
1-tert-butyl-5-methoxybenzotriazole
CID 134294764
2,2,2-trifluoro-N-[2-(6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 18947290
N-[(6-methoxybenzimidazol-1-yl)methyl]-N-octyloctan-1-amine
CID 134294678
6-bromo-1-(4-methoxyphenyl)benzimidazole
CID 71295672
CID 101485462
CID 101485462

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-methoxybenzimidazole?
The IUPAC name of 1-tert-butyl-6-methoxybenzimidazole (CID 21460432) is 1-tert-butyl-6-methoxybenzimidazole.
What is the SMILES notation for 1-tert-butyl-6-methoxybenzimidazole?
The canonical SMILES for 1-tert-butyl-6-methoxybenzimidazole is COc1ccc2ncn(C(C)(C)C)c2c1.
What is the InChIKey of 1-tert-butyl-6-methoxybenzimidazole?
The InChIKey is INEXPFHRATXUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)14-8-13-10-6-5-9(15-4)7-11(10)14/h5-8H,1-4H3.
What are the key properties of 1-tert-butyl-6-methoxybenzimidazole?
1-tert-butyl-6-methoxybenzimidazole has a molecular weight of 204.27 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-methoxybenzimidazole is sourced from PubChem (CID 21460432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).