2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol

C11H15N3O — CID 66166899

IUPAC2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol
SMILESCc1cc2nc(C(O)CN)[nH]c2cc1C
InChIInChI=1S/C11H15N3O/c1-6-3-8-9(4-7(6)2)14-11(13-8)10(15)5-12/h3-4,10,15H,5,12H2,1-2H3,(H,13,14)
InChIKeyOXWPIWCAPYKHFR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.17
Rot. Bonds2

About 2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol

2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol (PubChem CID 66166899) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol
PubChem CID66166899
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol
SMILESCc1cc2nc(C(O)CN)[nH]c2cc1C
InChIInChI=1S/C11H15N3O/c1-6-3-8-9(4-7(6)2)14-11(13-8)10(15)5-12/h3-4,10,15H,5,12H2,1-2H3,(H,13,14)
InChIKeyOXWPIWCAPYKHFR-UHFFFAOYSA-N
XLogP1.17
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of 2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol (CID 66166899) is 2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol is Cc1cc2nc(C(O)CN)[nH]c2cc1C.
What is the InChIKey of 2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol?
The InChIKey is OXWPIWCAPYKHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6-3-8-9(4-7(6)2)14-11(13-8)10(15)5-12/h3-4,10,15H,5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol?
2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol has a molecular weight of 205.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 66166899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).