[3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol

C12H21N3O — CID 90899926

IUPAC[3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol
SMILESCCCC1CCN(Cn2cncc2CO)C1
InChIInChI=1S/C12H21N3O/c1-2-3-11-4-5-14(7-11)10-15-9-13-6-12(15)8-16/h6,9,11,16H,2-5,7-8,10H2,1H3
InChIKeyXEZRSVJXNDLRBI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.45
Rot. Bonds5

About [3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol

[3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol (PubChem CID 90899926) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol
PubChem CID90899926
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol
SMILESCCCC1CCN(Cn2cncc2CO)C1
InChIInChI=1S/C12H21N3O/c1-2-3-11-4-5-14(7-11)10-15-9-13-6-12(15)8-16/h6,9,11,16H,2-5,7-8,10H2,1H3
InChIKeyXEZRSVJXNDLRBI-UHFFFAOYSA-N
XLogP1.45
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methyl-1H-imidazol-5-yl)methanol
CID 2773450
(1-(propan-2-yl)-1H-imidazol-5-yl)methanol
CID 20568531
[2-(dimethylamino)-1-methyl-1H-imidazol-5-yl]methanol
CID 64012368
3-(4-Hydroxymethyl-imidazol-1-yl)-nonan-2-ol
CID 14888756
(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 304328
(1-methyl-1H-imidazol-4-yl)methanol
CID 7060524
(1-Isobutyl-1H-imidazol-5-yl)methanol
CID 11686942
(1-ethyl-1H-imidazol-4-yl)methanol
CID 18361866
(2-amino-3-methyl-3H-imidazol-4-yl)methanol
CID 53411272
1,2-Dimethyl-1H-imidazole-4-methanol
CID 59589401
[1-(2-methoxyethyl)-1H-imidazol-5-yl]methanol
CID 18670918
6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethanol
CID 51063951

Frequently Asked Questions

What is the IUPAC name of [3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol (CID 90899926) is [3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol is CCCC1CCN(Cn2cncc2CO)C1.
What is the InChIKey of [3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol?
The InChIKey is XEZRSVJXNDLRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-11-4-5-14(7-11)10-15-9-13-6-12(15)8-16/h6,9,11,16H,2-5,7-8,10H2,1H3.
What are the key properties of [3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol?
[3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-propylpyrrolidin-1-yl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 90899926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).