1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol

C14H25N3O — CID 114338610

IUPAC1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCCCn1cncc1CN1CCCC1CC(C)O
InChIInChI=1S/C14H25N3O/c1-3-6-17-11-15-9-14(17)10-16-7-4-5-13(16)8-12(2)18/h9,11-13,18H,3-8,10H2,1-2H3
InChIKeyMUQFPMHOGFVMJU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.03
Rot. Bonds6

About 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol

1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 114338610) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID114338610
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
SMILESCCCn1cncc1CN1CCCC1CC(C)O
InChIInChI=1S/C14H25N3O/c1-3-6-17-11-15-9-14(17)10-16-7-4-5-13(16)8-12(2)18/h9,11-13,18H,3-8,10H2,1-2H3
InChIKeyMUQFPMHOGFVMJU-UHFFFAOYSA-N
XLogP2.03
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339599
[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 66154354
1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol
CID 66154969
1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79537003
[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66117539
N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 66153816
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918
2-cyclopentyl-1-(3-propylimidazol-4-yl)ethanol
CID 66129443
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
cyclopropyl-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methanol
CID 79103461
1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130194
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338141

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol (CID 114338610) is 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol is CCCn1cncc1CN1CCCC1CC(C)O.
What is the InChIKey of 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is MUQFPMHOGFVMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-6-17-11-15-9-14(17)10-16-7-4-5-13(16)8-12(2)18/h9,11-13,18H,3-8,10H2,1-2H3.
What are the key properties of 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol?
1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-propylimidazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).