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

C15H22N2O — CID 82149314

IUPAC2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
SMILESCc1cc2nc(C(C)(C)C)n(CCO)c2cc1C
InChIInChI=1S/C15H22N2O/c1-10-8-12-13(9-11(10)2)17(6-7-18)14(16-12)15(3,4)5/h8-9,18H,6-7H2,1-5H3
InChIKeyMOLJHDMZZWYEBJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.94
Rot. Bonds2

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

2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol (PubChem CID 82149314) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
PubChem CID82149314
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
SMILESCc1cc2nc(C(C)(C)C)n(CCO)c2cc1C
InChIInChI=1S/C15H22N2O/c1-10-8-12-13(9-11(10)2)17(6-7-18)14(16-12)15(3,4)5/h8-9,18H,6-7H2,1-5H3
InChIKeyMOLJHDMZZWYEBJ-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol
CID 82149367
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 82149576
3-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)-2-methylpropanethioamide
CID 82150327
2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82311782
3-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 82359653
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311786
2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 94755704
2-[5,6-dimethyl-2-(trichloromethyl)benzimidazol-1-yl]acetic acid
CID 94748222
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987
2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82149347
3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756196

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol (CID 82149314) is 2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol is Cc1cc2nc(C(C)(C)C)n(CCO)c2cc1C.
What is the InChIKey of 2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol?
The InChIKey is MOLJHDMZZWYEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-8-12-13(9-11(10)2)17(6-7-18)14(16-12)15(3,4)5/h8-9,18H,6-7H2,1-5H3.
What are the key properties of 2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol?
2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol has a molecular weight of 246.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 82149314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).