2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol

C14H21N3O3 — CID 82311690

IUPAC2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol
SMILESCOc1ccc2c(c1)nc(CN(C)CCO)n2CCO
InChIInChI=1S/C14H21N3O3/c1-16(5-7-18)10-14-15-12-9-11(20-2)3-4-13(12)17(14)6-8-19/h3-4,9,18-19H,5-8,10H2,1-2H3
InChIKeyBZODMABQQVBMFJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.46
Rot. Bonds7

About 2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol

2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol (PubChem CID 82311690) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol
PubChem CID82311690
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol
SMILESCOc1ccc2c(c1)nc(CN(C)CCO)n2CCO
InChIInChI=1S/C14H21N3O3/c1-16(5-7-18)10-14-15-12-9-11(20-2)3-4-13(12)17(14)6-8-19/h3-4,9,18-19H,5-8,10H2,1-2H3
InChIKeyBZODMABQQVBMFJ-UHFFFAOYSA-N
XLogP0.46
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol (CID 82311690) is 2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol is COc1ccc2c(c1)nc(CN(C)CCO)n2CCO.
What is the InChIKey of 2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol?
The InChIKey is BZODMABQQVBMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16(5-7-18)10-14-15-12-9-11(20-2)3-4-13(12)17(14)6-8-19/h3-4,9,18-19H,5-8,10H2,1-2H3.
What are the key properties of 2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol?
2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol has a molecular weight of 279.34 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).