2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol

C14H21N3O2 — CID 82335008

IUPAC2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol
SMILESCCCOc1ccc2c(c1)nc(CCN)n2CCO
InChIInChI=1S/C14H21N3O2/c1-2-9-19-11-3-4-13-12(10-11)16-14(5-6-15)17(13)7-8-18/h3-4,10,18H,2,5-9,15H2,1H3
InChIKeyWZCYJBLYNDVJOM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.32
Rot. Bonds7

About 2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol

2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol (PubChem CID 82335008) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol
PubChem CID82335008
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol
SMILESCCCOc1ccc2c(c1)nc(CCN)n2CCO
InChIInChI=1S/C14H21N3O2/c1-2-9-19-11-3-4-13-12(10-11)16-14(5-6-15)17(13)7-8-18/h3-4,10,18H,2,5-9,15H2,1H3
InChIKeyWZCYJBLYNDVJOM-UHFFFAOYSA-N
XLogP1.32
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol
CID 82335082
3-[1-(2-hydroxyethyl)-5-propoxybenzimidazol-2-yl]propanoic acid
CID 82334985
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311696
2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82334385
3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 82334841
3-(1-prop-2-enyl-5-propoxybenzimidazol-2-yl)propanoic acid
CID 82334980
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335031
4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
CID 82334847
2-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]ethanamine
CID 171338197

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol (CID 82335008) is 2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol is CCCOc1ccc2c(c1)nc(CCN)n2CCO.
What is the InChIKey of 2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol?
The InChIKey is WZCYJBLYNDVJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-9-19-11-3-4-13-12(10-11)16-14(5-6-15)17(13)7-8-18/h3-4,10,18H,2,5-9,15H2,1H3.
What are the key properties of 2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol?
2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol has a molecular weight of 263.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82335008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).