2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol

C15H23N3O — CID 79097516

IUPAC2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2cncn2C(C)C)c1
InChIInChI=1S/C15H23N3O/c1-11(2)15(19)13-5-6-17(8-13)9-14-7-16-10-18(14)12(3)4/h5-8,10-12,15,19H,9H2,1-4H3
InChIKeyGNYXXHIEDUKYOW-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds5

About 2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol

2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79097516) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID79097516
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2cncn2C(C)C)c1
InChIInChI=1S/C15H23N3O/c1-11(2)15(19)13-5-6-17(8-13)9-14-7-16-10-18(14)12(3)4/h5-8,10-12,15,19H,9H2,1-4H3
InChIKeyGNYXXHIEDUKYOW-UHFFFAOYSA-N
XLogP3.00
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol (CID 79097516) is 2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol is CC(C)C(O)c1ccn(Cc2cncn2C(C)C)c1.
What is the InChIKey of 2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is GNYXXHIEDUKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)15(19)13-5-6-17(8-13)9-14-7-16-10-18(14)12(3)4/h5-8,10-12,15,19H,9H2,1-4H3.
What are the key properties of 2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79097516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).