1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol

C7H14N2O — CID 19766411

IUPAC1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol
SMILESCC1=NCCN1CC(C)O
InChIInChI=1S/C7H14N2O/c1-6(10)5-9-4-3-8-7(9)2/h6,10H,3-5H2,1-2H3
InChIKeyQIFHRZRVYWJSSQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.10
Rot. Bonds2

About 1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol

1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol (PubChem CID 19766411) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol
PubChem CID19766411
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol
SMILESCC1=NCCN1CC(C)O
InChIInChI=1S/C7H14N2O/c1-6(10)5-9-4-3-8-7(9)2/h6,10H,3-5H2,1-2H3
InChIKeyQIFHRZRVYWJSSQ-UHFFFAOYSA-N
XLogP0.10
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol (CID 19766411) is 1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol is CC1=NCCN1CC(C)O.
What is the InChIKey of 1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol?
The InChIKey is QIFHRZRVYWJSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(10)5-9-4-3-8-7(9)2/h6,10H,3-5H2,1-2H3.
What are the key properties of 1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol?
1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4,5-dihydroimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 19766411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).