(2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol

C8H15N3O — CID 94410818

IUPAC(2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
SMILESCc1ncn(C[C@@H](O)CN)c1C
InChIInChI=1S/C8H15N3O/c1-6-7(2)11(5-10-6)4-8(12)3-9/h5,8,12H,3-4,9H2,1-2H3/t8-/m0/s1
InChIKeyLFBZACWKPQZJAC-QMMMGPOBSA-N
MW169.23 g/mol
LogP-0.18
Rot. Bonds3

About (2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol

(2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol (PubChem CID 94410818) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
PubChem CID94410818
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
SMILESCc1ncn(C[C@@H](O)CN)c1C
InChIInChI=1S/C8H15N3O/c1-6-7(2)11(5-10-6)4-8(12)3-9/h5,8,12H,3-4,9H2,1-2H3/t8-/m0/s1
InChIKeyLFBZACWKPQZJAC-QMMMGPOBSA-N
XLogP-0.18
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol
CID 63987835
1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
CID 62350715
1-(4,5-dimethylimidazol-1-yl)butan-2-amine
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1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989388
1-(4,5-dimethylimidazol-1-yl)propan-2-ylhydrazine
CID 130987277
3-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76941353
2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
CID 75531085
3-(2,3-dihydroxypropyl)-5-iodo-6-methylpyrimidin-4-one
CID 82850471
3-(3-chloro-2-hydroxypropyl)-5-iodo-6-methylpyrimidin-4-one
CID 112560376
3-(3-amino-2-hydroxypropyl)quinazolin-4-one
CID 43212309
1-[(2S)-3-amino-2-hydroxypropyl]imidazole-4,5-dicarbonitrile
CID 130492578
1-(3-amino-2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595077

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol (CID 94410818) is (2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol is Cc1ncn(C[C@@H](O)CN)c1C.
What is the InChIKey of (2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol?
The InChIKey is LFBZACWKPQZJAC-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-7(2)11(5-10-6)4-8(12)3-9/h5,8,12H,3-4,9H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol?
(2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol has a molecular weight of 169.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 94410818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).