2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol

C17H28N4O2 — CID 101390379

IUPAC2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol
SMILESCCCn1ccnc1CC(CO)(CO)Cc1nccn1C(C)C
InChIInChI=1S/C17H28N4O2/c1-4-7-20-8-5-18-15(20)10-17(12-22,13-23)11-16-19-6-9-21(16)14(2)3/h5-6,8-9,14,22-23H,4,7,10-13H2,1-3H3
InChIKeyWSDUGTKIRVGVQK-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.83
Rot. Bonds9

About 2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol

2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol (PubChem CID 101390379) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol
PubChem CID101390379
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol
SMILESCCCn1ccnc1CC(CO)(CO)Cc1nccn1C(C)C
InChIInChI=1S/C17H28N4O2/c1-4-7-20-8-5-18-15(20)10-17(12-22,13-23)11-16-19-6-9-21(16)14(2)3/h5-6,8-9,14,22-23H,4,7,10-13H2,1-3H3
InChIKeyWSDUGTKIRVGVQK-UHFFFAOYSA-N
XLogP1.83
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol
CID 101390378
2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole
CID 79762064
3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol
CID 79738150
2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine
CID 112566789
2-(3-bromobutyl)-1-propylimidazole
CID 64508695
2-[(1-propylimidazol-2-yl)methyl]pentanoic acid
CID 83043652
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 114228321
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine
CID 79761328

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol (CID 101390379) is 2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol is CCCn1ccnc1CC(CO)(CO)Cc1nccn1C(C)C.
What is the InChIKey of 2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol?
The InChIKey is WSDUGTKIRVGVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-7-20-8-5-18-15(20)10-17(12-22,13-23)11-16-19-6-9-21(16)14(2)3/h5-6,8-9,14,22-23H,4,7,10-13H2,1-3H3.
What are the key properties of 2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol?
2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol has a molecular weight of 320.44 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylimidazol-2-yl)methyl]-2-[(1-propylimidazol-2-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 101390379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).