2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol

C15H23N3O2 — CID 82336047

IUPAC2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol
SMILESCCOc1ccc2nc(C(C)N(CC)CCO)[nH]c2c1
InChIInChI=1S/C15H23N3O2/c1-4-18(8-9-19)11(3)15-16-13-7-6-12(20-5-2)10-14(13)17-15/h6-7,10-11,19H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyKBMRZRAWYRJWRL-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.34
Rot. Bonds7

About 2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol

2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol (PubChem CID 82336047) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol
PubChem CID82336047
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol
SMILESCCOc1ccc2nc(C(C)N(CC)CCO)[nH]c2c1
InChIInChI=1S/C15H23N3O2/c1-4-18(8-9-19)11(3)15-16-13-7-6-12(20-5-2)10-14(13)17-15/h6-7,10-11,19H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyKBMRZRAWYRJWRL-UHFFFAOYSA-N
XLogP2.34
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
CID 82336077
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816333
N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine
CID 82336183
(2R,3S)-3-(6-ethoxy-1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 3009995
2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol
CID 82336298
2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol
CID 82336490
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one
CID 43218622
6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 82336041
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
6-ethoxy-2-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]-1H-benzimidazole
CID 89433744

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol?
The IUPAC name of 2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol (CID 82336047) is 2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol.
What is the SMILES notation for 2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol?
The canonical SMILES for 2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol is CCOc1ccc2nc(C(C)N(CC)CCO)[nH]c2c1.
What is the InChIKey of 2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol?
The InChIKey is KBMRZRAWYRJWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-18(8-9-19)11(3)15-16-13-7-6-12(20-5-2)10-14(13)17-15/h6-7,10-11,19H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol?
2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol has a molecular weight of 277.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol is sourced from PubChem (CID 82336047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).