2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol

C7H14N2O — CID 67893084

IUPAC2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol
SMILESCC1=NCC(C(C)CO)N1
InChIInChI=1S/C7H14N2O/c1-5(4-10)7-3-8-6(2)9-7/h5,7,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyXDTUWWIYHWMJOG-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.00
Rot. Bonds2

About 2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol

2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol (PubChem CID 67893084) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol
PubChem CID67893084
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol
SMILESCC1=NCC(C(C)CO)N1
InChIInChI=1S/C7H14N2O/c1-5(4-10)7-3-8-6(2)9-7/h5,7,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyXDTUWWIYHWMJOG-UHFFFAOYSA-N
XLogP0.00
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol?
The IUPAC name of 2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol (CID 67893084) is 2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol?
The canonical SMILES for 2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol is CC1=NCC(C(C)CO)N1.
What is the InChIKey of 2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol?
The InChIKey is XDTUWWIYHWMJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(4-10)7-3-8-6(2)9-7/h5,7,10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol?
2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)propan-1-ol is sourced from PubChem (CID 67893084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).