1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol

C13H17N3O — CID 112627764

IUPAC1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H17N3O/c1-9(17)10-6-7-16(8-10)13-14-11-4-2-3-5-12(11)15-13/h2-5,9-10,17H,6-8H2,1H3,(H,14,15)
InChIKeyPGMHUQUAIFTTJW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.77
Rot. Bonds2

About 1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol

1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112627764) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID112627764
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H17N3O/c1-9(17)10-6-7-16(8-10)13-14-11-4-2-3-5-12(11)15-13/h2-5,9-10,17H,6-8H2,1H3,(H,14,15)
InChIKeyPGMHUQUAIFTTJW-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(6-amino-1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112624225
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110026587
2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]carbamoyl]-3-methylbutanoic acid
CID 146145486
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 20882839
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole
CID 125141302
[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate
CID 54562997

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol (CID 112627764) is 1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is PGMHUQUAIFTTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(17)10-6-7-16(8-10)13-14-11-4-2-3-5-12(11)15-13/h2-5,9-10,17H,6-8H2,1H3,(H,14,15).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol?
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).