[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol

C12H21N3O — CID 66154430

IUPAC[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCC(C)n1cncc1CN1CCC(CO)C1
InChIInChI=1S/C12H21N3O/c1-10(2)15-9-13-5-12(15)7-14-4-3-11(6-14)8-16/h5,9-11,16H,3-4,6-8H2,1-2H3
InChIKeyHQVVXWLSHGNHSP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.28
Rot. Bonds4

About [1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol

[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 66154430) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID66154430
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCC(C)n1cncc1CN1CCC(CO)C1
InChIInChI=1S/C12H21N3O/c1-10(2)15-9-13-5-12(15)7-14-4-3-11(6-14)8-16/h5,9-11,16H,3-4,6-8H2,1-2H3
InChIKeyHQVVXWLSHGNHSP-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol (CID 66154430) is [1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol is CC(C)n1cncc1CN1CCC(CO)C1.
What is the InChIKey of [1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is HQVVXWLSHGNHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)15-9-13-5-12(15)7-14-4-3-11(6-14)8-16/h5,9-11,16H,3-4,6-8H2,1-2H3.
What are the key properties of [1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol?
[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 66154430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).