1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol

C13H17N3O — CID 168512602

IUPAC1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol
SMILESCC(O)c1nc2ccc(N3CCCC3)cc2[nH]1
InChIInChI=1S/C13H17N3O/c1-9(17)13-14-11-5-4-10(8-12(11)15-13)16-6-2-3-7-16/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyREPZVPJHXDTFTI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.22
Rot. Bonds2

About 1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol

1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol (PubChem CID 168512602) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol
PubChem CID168512602
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol
SMILESCC(O)c1nc2ccc(N3CCCC3)cc2[nH]1
InChIInChI=1S/C13H17N3O/c1-9(17)13-14-11-5-4-10(8-12(11)15-13)16-6-2-3-7-16/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyREPZVPJHXDTFTI-UHFFFAOYSA-N
XLogP2.22
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Hydroxymethyl)-1H-benzimidazole
CID 78569
Ethanol, 1-(1-methyl-2-benzimidazolyl)-
CID 97831
2-Benzimidazolepropanol
CID 75470
(1-methyl-1H-1,3-benzodiazol-2-yl)methanol
CID 344177
(5-nitro-1H-1,3-benzodiazol-2-yl)methanol
CID 3744471
1-(1H-1,3-benzodiazol-2-yl)ethan-1-ol
CID 205922
2-(2-Methyl-1H-benzimidazol-1-yl)ethan-1-ol
CID 761926
2-((1H-1,3-benzodiazol-2-yl)amino)ethan-1-ol
CID 583867
2-Methyl-1H-benzoimidazol-5-ylamine
CID 315500
2-[1H-benzimidazol-2-yl(2-hydroxyethyl)amino]ethanol
CID 791808
2-Morpholin-4-ylmethyl-1H-benzoimidazole
CID 825322
1,2-bis(1H-benzimidazol-2-yl)ethane-1,2-diol
CID 250665

Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of 1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol (CID 168512602) is 1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol is CC(O)c1nc2ccc(N3CCCC3)cc2[nH]1.
What is the InChIKey of 1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol?
The InChIKey is REPZVPJHXDTFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(17)13-14-11-5-4-10(8-12(11)15-13)16-6-2-3-7-16/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol?
1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol has a molecular weight of 231.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 168512602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).