3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol

C12H23N3O4 — CID 71321684

IUPAC3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol
SMILESOCC(O)CN(CCCn1ccnc1)CC(O)CO
InChIInChI=1S/C12H23N3O4/c16-8-11(18)6-15(7-12(19)9-17)4-1-3-14-5-2-13-10-14/h2,5,10-12,16-19H,1,3-4,6-9H2
InChIKeyRJKMKVZDJZXAQD-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.72
Rot. Bonds10

About 3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol

3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol (PubChem CID 71321684) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol
PubChem CID71321684
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol
SMILESOCC(O)CN(CCCn1ccnc1)CC(O)CO
InChIInChI=1S/C12H23N3O4/c16-8-11(18)6-15(7-12(19)9-17)4-1-3-14-5-2-13-10-14/h2,5,10-12,16-19H,1,3-4,6-9H2
InChIKeyRJKMKVZDJZXAQD-UHFFFAOYSA-N
XLogP-1.72
TPSA101.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128
[6-[[6-(2-hexyldecanoyloxy)-2-hydroxyhexyl]-(3-imidazol-1-ylpropyl)amino]-5-hydroxyhexyl] 2-hexyldecanoate
CID 176870495
[(5S)-6-[[(2R)-6-(2-hexyldecanoyloxy)-2-hydroxyhexyl]-(3-imidazol-1-ylpropyl)amino]-5-hydroxyhexyl] 2-hexyldecanoate
CID 176870374
[(5R)-6-[[(2R)-6-(2-hexyldecanoyloxy)-2-hydroxyhexyl]-(3-imidazol-1-ylpropyl)amino]-5-hydroxyhexyl] 2-hexyldecanoate
CID 176870362
2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
CID 63065726
2-(3-imidazol-1-ylpropylsulfanyl)ethanol
CID 61492872
N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide
CID 76917250
6-imidazol-1-ylhexan-3-ol
CID 106802503
6-[2-hydroxytetradecyl(3-imidazol-1-ylpropyl)amino]hexyl 2-hexyldecanoate
CID 176870450
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
CID 80679358
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
2-imidazol-1-ylethanol
CID 159023310

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol?
The IUPAC name of 3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol (CID 71321684) is 3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol is OCC(O)CN(CCCn1ccnc1)CC(O)CO.
What is the InChIKey of 3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol?
The InChIKey is RJKMKVZDJZXAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c16-8-11(18)6-15(7-12(19)9-17)4-1-3-14-5-2-13-10-14/h2,5,10-12,16-19H,1,3-4,6-9H2.
What are the key properties of 3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol?
3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol has a molecular weight of 273.33 g/mol, XLogP of -1.72, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol is sourced from PubChem (CID 71321684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).