1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol

C7H14N2O2 — CID 91461086

IUPAC1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol
SMILESCC(O)C(O)N1C=CN(C)C1
InChIInChI=1S/C7H14N2O2/c1-6(10)7(11)9-4-3-8(2)5-9/h3-4,6-7,10-11H,5H2,1-2H3
InChIKeyRUZCXTCITHSMFV-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.64
Rot. Bonds2

About 1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol

1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol (PubChem CID 91461086) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol
PubChem CID91461086
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol
SMILESCC(O)C(O)N1C=CN(C)C1
InChIInChI=1S/C7H14N2O2/c1-6(10)7(11)9-4-3-8(2)5-9/h3-4,6-7,10-11H,5H2,1-2H3
InChIKeyRUZCXTCITHSMFV-UHFFFAOYSA-N
XLogP-0.64
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol
CID 56627033
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol
CID 58841196
3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol
CID 67085778
1-(3-methyl-2H-imidazol-1-yl)butan-2-ol
CID 67438474
1-(3-methyl-2H-imidazol-1-yl)propan-2-ol
CID 67439903
3-(3-ethenyl-2H-imidazol-1-yl)propane-1,2-diol
CID 68171543
1-(2,3-dimethyl-2H-imidazol-1-yl)propan-2-ol
CID 69235069
1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
CID 69236129
1-(3-butyl-2H-imidazol-1-yl)propan-2-ol
CID 69731321
1-[Ethenyl-[[ethenyl(2-hydroxybutyl)amino]methyl]amino]butan-2-ol
CID 88441002
(2S)-3-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol
CID 89177383
1-(2,3-dimethyl-2H-imidazol-1-yl)butan-2-ol;propane
CID 91360717

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol?
The IUPAC name of 1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol (CID 91461086) is 1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol?
The canonical SMILES for 1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol is CC(O)C(O)N1C=CN(C)C1.
What is the InChIKey of 1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol?
The InChIKey is RUZCXTCITHSMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(10)7(11)9-4-3-8(2)5-9/h3-4,6-7,10-11H,5H2,1-2H3.
What are the key properties of 1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol?
1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol has a molecular weight of 158.20 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2H-imidazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 91461086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).