2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol

C11H19N3O — CID 129189722

IUPAC2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol
SMILESCc1cnc([C@@H]2C[C@H](CCO)CN2C)[nH]1
InChIInChI=1S/C11H19N3O/c1-8-6-12-11(13-8)10-5-9(3-4-15)7-14(10)2/h6,9-10,15H,3-5,7H2,1-2H3,(H,12,13)/t9-,10-/m0/s1
InChIKeyXHCTWTDACLHRJP-UWVGGRQHSA-N
MW209.29 g/mol
LogP1.09
Rot. Bonds3

About 2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol

2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 129189722) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID129189722
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol
SMILESCc1cnc([C@@H]2C[C@H](CCO)CN2C)[nH]1
InChIInChI=1S/C11H19N3O/c1-8-6-12-11(13-8)10-5-9(3-4-15)7-14(10)2/h6,9-10,15H,3-5,7H2,1-2H3,(H,12,13)/t9-,10-/m0/s1
InChIKeyXHCTWTDACLHRJP-UWVGGRQHSA-N
XLogP1.09
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol (CID 129189722) is 2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol is Cc1cnc([C@@H]2C[C@H](CCO)CN2C)[nH]1.
What is the InChIKey of 2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is XHCTWTDACLHRJP-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-6-12-11(13-8)10-5-9(3-4-15)7-14(10)2/h6,9-10,15H,3-5,7H2,1-2H3,(H,12,13)/t9-,10-/m0/s1.
What are the key properties of 2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol?
2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-1-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 129189722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).