2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol

C18H29N3O2 — CID 121465816

IUPAC2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol
SMILESCCOCCN1c2ccccc2NC1C1CCN(CCO)CC1
InChIInChI=1S/C18H29N3O2/c1-2-23-14-12-21-17-6-4-3-5-16(17)19-18(21)15-7-9-20(10-8-15)11-13-22/h3-6,15,18-19,22H,2,7-14H2,1H3
InChIKeyITPYKZXHDKAOBE-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.99
Rot. Bonds7

About 2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol

2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol (PubChem CID 121465816) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol
PubChem CID121465816
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol
SMILESCCOCCN1c2ccccc2NC1C1CCN(CCO)CC1
InChIInChI=1S/C18H29N3O2/c1-2-23-14-12-21-17-6-4-3-5-16(17)19-18(21)15-7-9-20(10-8-15)11-13-22/h3-6,15,18-19,22H,2,7-14H2,1H3
InChIKeyITPYKZXHDKAOBE-UHFFFAOYSA-N
XLogP1.99
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole
CID 141196849
3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole
CID 141196850
3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol
CID 121452091
2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline
CID 43384244
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanone
CID 95309041
2-[2-[4-(ethoxymethyl)piperidin-1-yl]ethoxy]ethanol
CID 111439736
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
(4aR,8aR)-2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178896
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
2-[3-(ethoxymethyl)pyrrolidin-1-yl]ethanol
CID 121201448

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol (CID 121465816) is 2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol is CCOCCN1c2ccccc2NC1C1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol?
The InChIKey is ITPYKZXHDKAOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-2-23-14-12-21-17-6-4-3-5-16(17)19-18(21)15-7-9-20(10-8-15)11-13-22/h3-6,15,18-19,22H,2,7-14H2,1H3.
What are the key properties of 2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol?
2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol has a molecular weight of 319.45 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 121465816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).