2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol

C14H20FN3O — CID 82336298

IUPAC2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol
SMILESCCC(c1nc2ccc(F)cc2[nH]1)N(CC)CCO
InChIInChI=1S/C14H20FN3O/c1-3-13(18(4-2)7-8-19)14-16-11-6-5-10(15)9-12(11)17-14/h5-6,9,13,19H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyCWTPFPWFFVKNLQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.47
Rot. Bonds6

About 2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol

2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol (PubChem CID 82336298) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol
PubChem CID82336298
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol
SMILESCCC(c1nc2ccc(F)cc2[nH]1)N(CC)CCO
InChIInChI=1S/C14H20FN3O/c1-3-13(18(4-2)7-8-19)14-16-11-6-5-10(15)9-12(11)17-14/h5-6,9,13,19H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyCWTPFPWFFVKNLQ-UHFFFAOYSA-N
XLogP2.47
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336306
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 6927588
2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol
CID 82336047
(2R,3R)-1-(6-fluoro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 118151410
(1S,2R,3R)-1-(6-fluoro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 118128981
2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol
CID 82336490
2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole
CID 82336282
1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336511
(1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
CID 118128954
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336369

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol (CID 82336298) is 2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol is CCC(c1nc2ccc(F)cc2[nH]1)N(CC)CCO.
What is the InChIKey of 2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol?
The InChIKey is CWTPFPWFFVKNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-3-13(18(4-2)7-8-19)14-16-11-6-5-10(15)9-12(11)17-14/h5-6,9,13,19H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol?
2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol has a molecular weight of 265.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol is sourced from PubChem (CID 82336298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).