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

Analyze 1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
1-(6-indazol-1-yl-1H-benzimidazol-2-yl)ethanol
CID 50965231
(1R)-1-(6-pyrazolo[5,4-b]pyridin-1-yl-1H-benzimidazol-2-yl)ethanol
CID 95205037
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole
CID 168514262
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
CID 66264432
[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 66263156
2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole
CID 95473984
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687

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).