2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol

C16H23N3O2 — CID 82311696

IUPAC2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
SMILESCCOc1ccc2c(c1)nc(CN1CCCC1)n2CCO
InChIInChI=1S/C16H23N3O2/c1-2-21-13-5-6-15-14(11-13)17-16(19(15)9-10-20)12-18-7-3-4-8-18/h5-6,11,20H,2-4,7-10,12H2,1H3
InChIKeyBYEDHIZBFFYSKV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.02
Rot. Bonds6

About 2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol

2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol (PubChem CID 82311696) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
PubChem CID82311696
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
SMILESCCOc1ccc2c(c1)nc(CN1CCCC1)n2CCO
InChIInChI=1S/C16H23N3O2/c1-2-21-13-5-6-15-14(11-13)17-16(19(15)9-10-20)12-18-7-3-4-8-18/h5-6,11,20H,2-4,7-10,12H2,1H3
InChIKeyBYEDHIZBFFYSKV-UHFFFAOYSA-N
XLogP2.02
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol (CID 82311696) is 2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol is CCOc1ccc2c(c1)nc(CN1CCCC1)n2CCO.
What is the InChIKey of 2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol?
The InChIKey is BYEDHIZBFFYSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-21-13-5-6-15-14(11-13)17-16(19(15)9-10-20)12-18-7-3-4-8-18/h5-6,11,20H,2-4,7-10,12H2,1H3.
What are the key properties of 2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol?
2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol has a molecular weight of 289.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).