3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol

C12H21N3O — CID 103358037

IUPAC3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCCCn1cncc1CN1CCC(C)(O)C1
InChIInChI=1S/C12H21N3O/c1-3-5-15-10-13-7-11(15)8-14-6-4-12(2,16)9-14/h7,10,16H,3-6,8-9H2,1-2H3
InChIKeyWTQQHNJJDUUMCC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds4

About 3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol

3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 103358037) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID103358037
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCCCn1cncc1CN1CCC(C)(O)C1
InChIInChI=1S/C12H21N3O/c1-3-5-15-10-13-7-11(15)8-14-6-4-12(2,16)9-14/h7,10,16H,3-6,8-9H2,1-2H3
InChIKeyWTQQHNJJDUUMCC-UHFFFAOYSA-N
XLogP1.25
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6,6-dimethyl-4-[(3-propylimidazol-4-yl)methyl]morpholin-2-yl]methanol
CID 114779787
1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol
CID 66154969
3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine
CID 66130031
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid
CID 66129464
N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine
CID 66129391
1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 66134971
N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 66153816
4-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]azepan-4-ol
CID 107408129
5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine
CID 79987030
[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 70719084
1-[(3-propylimidazol-4-yl)methyl]pyrrole-2-carboxylic acid
CID 79112619

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol (CID 103358037) is 3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol is CCCn1cncc1CN1CCC(C)(O)C1.
What is the InChIKey of 3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is WTQQHNJJDUUMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-15-10-13-7-11(15)8-14-6-4-12(2,16)9-14/h7,10,16H,3-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol?
3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103358037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).