2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride

C11H16ClN3O — CID 6602787

IUPAC2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride
SMILESCc1ccc2c(c1)nc(NCCO)n2C.Cl
InChIInChI=1S/C11H15N3O.ClH/c1-8-3-4-10-9(7-8)13-11(14(10)2)12-5-6-15;/h3-4,7,15H,5-6H2,1-2H3,(H,12,13);1H
InChIKeyXNMUOBMMJULYGU-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.71
Rot. Bonds3

About 2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride

2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride (PubChem CID 6602787) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride
PubChem CID6602787
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride
SMILESCc1ccc2c(c1)nc(NCCO)n2C.Cl
InChIInChI=1S/C11H15N3O.ClH/c1-8-3-4-10-9(7-8)13-11(14(10)2)12-5-6-15;/h3-4,7,15H,5-6H2,1-2H3,(H,12,13);1H
InChIKeyXNMUOBMMJULYGU-UHFFFAOYSA-N
XLogP1.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride (CID 6602787) is 2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride is Cc1ccc2c(c1)nc(NCCO)n2C.Cl.
What is the InChIKey of 2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride?
The InChIKey is XNMUOBMMJULYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c1-8-3-4-10-9(7-8)13-11(14(10)2)12-5-6-15;/h3-4,7,15H,5-6H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride?
2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylbenzimidazol-2-yl)amino]ethanol;hydrochloride is sourced from PubChem (CID 6602787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).