1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol

C15H28N4O2 — CID 91579828

IUPAC1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol
SMILESCC(O)CN1C=CN(CC(O)CN2C=CN(C)C2C)C1C
InChIInChI=1S/C15H28N4O2/c1-12(20)9-17-7-8-19(14(17)3)11-15(21)10-18-6-5-16(4)13(18)2/h5-8,12-15,20-21H,9-11H2,1-4H3
InChIKeyQHEXWIYPWUQISG-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.23
Rot. Bonds6

About 1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol

1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol (PubChem CID 91579828) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol
PubChem CID91579828
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol
SMILESCC(O)CN1C=CN(CC(O)CN2C=CN(C)C2C)C1C
InChIInChI=1S/C15H28N4O2/c1-12(20)9-17-7-8-19(14(17)3)11-15(21)10-18-6-5-16(4)13(18)2/h5-8,12-15,20-21H,9-11H2,1-4H3
InChIKeyQHEXWIYPWUQISG-UHFFFAOYSA-N
XLogP0.23
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol (CID 91579828) is 1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol is CC(O)CN1C=CN(CC(O)CN2C=CN(C)C2C)C1C.
What is the InChIKey of 1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol?
The InChIKey is QHEXWIYPWUQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-12(20)9-17-7-8-19(14(17)3)11-15(21)10-18-6-5-16(4)13(18)2/h5-8,12-15,20-21H,9-11H2,1-4H3.
What are the key properties of 1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol?
1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol has a molecular weight of 296.42 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-2H-imidazol-1-yl)-3-[3-(2-hydroxypropyl)-2-methyl-2H-imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 91579828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).