[5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol

C10H17N3O2 — CID 20695934

IUPAC[5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol
SMILESOCN1CCC=C1CC1=NCCN1CO
InChIInChI=1S/C10H17N3O2/c14-7-12-4-1-2-9(12)6-10-11-3-5-13(10)8-15/h2,14-15H,1,3-8H2
InChIKeyARXFSKSNGOZVNQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.42
Rot. Bonds4

About [5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol

[5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol (PubChem CID 20695934) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is [5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol.

Molecular Properties

Compound Name[5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol
PubChem CID20695934
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name[5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol
SMILESOCN1CCC=C1CC1=NCCN1CO
InChIInChI=1S/C10H17N3O2/c14-7-12-4-1-2-9(12)6-10-11-3-5-13(10)8-15/h2,14-15H,1,3-8H2
InChIKeyARXFSKSNGOZVNQ-UHFFFAOYSA-N
XLogP-0.42
TPSA59.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole
CID 20692436
2-[5-[2-[1-(2-Hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol
CID 22886473

Frequently Asked Questions

What is the IUPAC name of [5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol?
The IUPAC name of [5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol (CID 20695934) is [5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol.
What is the SMILES notation for [5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol?
The canonical SMILES for [5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol is OCN1CCC=C1CC1=NCCN1CO.
What is the InChIKey of [5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol?
The InChIKey is ARXFSKSNGOZVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c14-7-12-4-1-2-9(12)6-10-11-3-5-13(10)8-15/h2,14-15H,1,3-8H2.
What are the key properties of [5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol?
[5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol has a molecular weight of 211.26 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[1-(hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol is sourced from PubChem (CID 20695934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).