2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol

C11H15N3O2 — CID 2859745

IUPAC2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol
SMILESCOc1ccc2c(c1)nc(NCCO)n2C
InChIInChI=1S/C11H15N3O2/c1-14-10-4-3-8(16-2)7-9(10)13-11(14)12-5-6-15/h3-4,7,15H,5-6H2,1-2H3,(H,12,13)
InChIKeyPGHOHMFYKWEDAL-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.99
Rot. Bonds4

About 2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol

2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol (PubChem CID 2859745) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol
PubChem CID2859745
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol
SMILESCOc1ccc2c(c1)nc(NCCO)n2C
InChIInChI=1S/C11H15N3O2/c1-14-10-4-3-8(16-2)7-9(10)13-11(14)12-5-6-15/h3-4,7,15H,5-6H2,1-2H3,(H,12,13)
InChIKeyPGHOHMFYKWEDAL-UHFFFAOYSA-N
XLogP0.99
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol?
The IUPAC name of 2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol (CID 2859745) is 2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol is COc1ccc2c(c1)nc(NCCO)n2C.
What is the InChIKey of 2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol?
The InChIKey is PGHOHMFYKWEDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-14-10-4-3-8(16-2)7-9(10)13-11(14)12-5-6-15/h3-4,7,15H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol?
2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol has a molecular weight of 221.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1-methylbenzimidazol-2-yl)amino]ethanol is sourced from PubChem (CID 2859745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).