ethane;2,3,6-trimethylbenzimidazol-5-ol

C12H18N2O — CID 168977189

IUPACethane;2,3,6-trimethylbenzimidazol-5-ol
SMILESCC.Cc1cc2nc(C)n(C)c2cc1O
InChIInChI=1S/C10H12N2O.C2H6/c1-6-4-8-9(5-10(6)13)12(3)7(2)11-8;1-2/h4-5,13H,1-3H3;1-2H3
InChIKeyGDVXBDVAHPYNCO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.92
Rot. Bonds

About ethane;2,3,6-trimethylbenzimidazol-5-ol

ethane;2,3,6-trimethylbenzimidazol-5-ol (PubChem CID 168977189) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is ethane;2,3,6-trimethylbenzimidazol-5-ol.

Molecular Properties

Compound Nameethane;2,3,6-trimethylbenzimidazol-5-ol
PubChem CID168977189
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Nameethane;2,3,6-trimethylbenzimidazol-5-ol
SMILESCC.Cc1cc2nc(C)n(C)c2cc1O
InChIInChI=1S/C10H12N2O.C2H6/c1-6-4-8-9(5-10(6)13)12(3)7(2)11-8;1-2/h4-5,13H,1-3H3;1-2H3
InChIKeyGDVXBDVAHPYNCO-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1,2,5-trimethylbenzimidazole
CID 123239325
2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole
CID 23572275
5,6-dimethoxy-1,2-dimethylbenzimidazole
CID 67341482
2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
CID 159180645
2-(1-aminocyclobutyl)-1,6-dimethylbenzimidazol-5-ol
CID 70793469
1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone
CID 83890942
1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone
CID 83902590
6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole
CID 21329570
1,2-dimethylbenzimidazole-5-thiol
CID 83529809
1,5-dimethylindazol-6-ol
CID 137082746
6-bromo-1,2-dimethylbenzimidazole
CID 58109509
6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride
CID 86596193

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,6-trimethylbenzimidazol-5-ol?
The IUPAC name of ethane;2,3,6-trimethylbenzimidazol-5-ol (CID 168977189) is ethane;2,3,6-trimethylbenzimidazol-5-ol.
What is the SMILES notation for ethane;2,3,6-trimethylbenzimidazol-5-ol?
The canonical SMILES for ethane;2,3,6-trimethylbenzimidazol-5-ol is CC.Cc1cc2nc(C)n(C)c2cc1O.
What is the InChIKey of ethane;2,3,6-trimethylbenzimidazol-5-ol?
The InChIKey is GDVXBDVAHPYNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C2H6/c1-6-4-8-9(5-10(6)13)12(3)7(2)11-8;1-2/h4-5,13H,1-3H3;1-2H3.
What are the key properties of ethane;2,3,6-trimethylbenzimidazol-5-ol?
ethane;2,3,6-trimethylbenzimidazol-5-ol has a molecular weight of 206.29 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,6-trimethylbenzimidazol-5-ol is sourced from PubChem (CID 168977189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).