2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol

C15H22N2O3 — CID 82149367

IUPAC2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol
SMILESCOc1cc2nc(C(C)(C)C)n(CCO)c2cc1OC
InChIInChI=1S/C15H22N2O3/c1-15(2,3)14-16-10-8-12(19-4)13(20-5)9-11(10)17(14)6-7-18/h8-9,18H,6-7H2,1-5H3
InChIKeyDYCXHBLDXSATOO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.34
Rot. Bonds4

About 2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol

2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol (PubChem CID 82149367) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol
PubChem CID82149367
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol
SMILESCOc1cc2nc(C(C)(C)C)n(CCO)c2cc1OC
InChIInChI=1S/C15H22N2O3/c1-15(2,3)14-16-10-8-12(19-4)13(20-5)9-11(10)17(14)6-7-18/h8-9,18H,6-7H2,1-5H3
InChIKeyDYCXHBLDXSATOO-UHFFFAOYSA-N
XLogP2.34
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 82149576
2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
CID 82149314
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol
CID 82149384
3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 82149581
2-tert-butyl-5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazole
CID 46309807
3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 94756206
4-amino-3-(2-hydroxyethyl)-6,7-dimethoxyquinazoline-2-thione
CID 135142587
2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
CID 82145483
5,6-dimethoxy-1,2-dimethylbenzimidazole
CID 67341482
3-(5,6-dimethoxy-2-methylbenzimidazol-1-yl)propanenitrile
CID 82145410
2-(chloromethyl)-5,6-dimethoxy-1-(2-methoxyethyl)benzimidazole
CID 83007863

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol (CID 82149367) is 2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol is COc1cc2nc(C(C)(C)C)n(CCO)c2cc1OC.
What is the InChIKey of 2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol?
The InChIKey is DYCXHBLDXSATOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)14-16-10-8-12(19-4)13(20-5)9-11(10)17(14)6-7-18/h8-9,18H,6-7H2,1-5H3.
What are the key properties of 2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol?
2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol has a molecular weight of 278.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol is sourced from PubChem (CID 82149367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).