2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol

C15H23N3O2 — CID 82335082

IUPAC2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol
SMILESCCCOc1ccc2c(c1)nc(CCNC)n2CCO
InChIInChI=1S/C15H23N3O2/c1-3-10-20-12-4-5-14-13(11-12)17-15(6-7-16-2)18(14)8-9-19/h4-5,11,16,19H,3,6-10H2,1-2H3
InChIKeyBETJCJBVHXRVGI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.58
Rot. Bonds8

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

2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol (PubChem CID 82335082) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol
PubChem CID82335082
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol
SMILESCCCOc1ccc2c(c1)nc(CCNC)n2CCO
InChIInChI=1S/C15H23N3O2/c1-3-10-20-12-4-5-14-13(11-12)17-15(6-7-16-2)18(14)8-9-19/h4-5,11,16,19H,3,6-10H2,1-2H3
InChIKeyBETJCJBVHXRVGI-UHFFFAOYSA-N
XLogP1.58
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-aminoethyl)-5-propoxybenzimidazol-1-yl]ethanol
CID 82335008
3-[1-(2-hydroxyethyl)-5-propoxybenzimidazol-2-yl]propanoic acid
CID 82334985
2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
CID 82334793
2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311696
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
4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
CID 82334847
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
2-[2-[(4-aminophenyl)methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82334385
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335031
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol (CID 82335082) is 2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol is CCCOc1ccc2c(c1)nc(CCNC)n2CCO.
What is the InChIKey of 2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol?
The InChIKey is BETJCJBVHXRVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-10-20-12-4-5-14-13(11-12)17-15(6-7-16-2)18(14)8-9-19/h4-5,11,16,19H,3,6-10H2,1-2H3.
What are the key properties of 2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol?
2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol has a molecular weight of 277.37 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylamino)ethyl]-5-propoxybenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82335082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).