3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol

C9H15N3O2 — CID 130679869

IUPAC3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C9H15N3O2/c13-7-9(14)1-4-12(6-9)5-8-10-2-3-11-8/h2-3,13-14H,1,4-7H2,(H,10,11)
InChIKeyRGTRNRCLWYJKBZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.66
Rot. Bonds3

About 3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol

3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 130679869) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol
PubChem CID130679869
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C9H15N3O2/c13-7-9(14)1-4-12(6-9)5-8-10-2-3-11-8/h2-3,13-14H,1,4-7H2,(H,10,11)
InChIKeyRGTRNRCLWYJKBZ-UHFFFAOYSA-N
XLogP-0.66
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol 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

7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130863312
3-[(4-fluorophenoxy)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-ol
CID 132648969
[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97134124
[3-[(4-fluorophenyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 45219253
(3S,4S)-1-(1H-imidazol-2-ylmethyl)-3-methyl-4-phenoxypiperidin-3-ol
CID 110145920
[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol
CID 130604179
1-(1H-imidazol-2-ylmethyl)-3-(3-methylbut-2-enyl)piperidine-3-carboxylic acid
CID 70717173
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 77089256
2-(3-hydroxypropyl)-9-(1H-imidazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756706
(3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 72870514
3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 130700479

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol (CID 130679869) is 3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol is OCC1(O)CCN(Cc2ncc[nH]2)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is RGTRNRCLWYJKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-7-9(14)1-4-12(6-9)5-8-10-2-3-11-8/h2-3,13-14H,1,4-7H2,(H,10,11).
What are the key properties of 3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol?
3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 197.24 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 130679869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).