3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol

C7H14N2O — CID 20748339

IUPAC3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESCC1=NCCN1CCCO
InChIInChI=1S/C7H14N2O/c1-7-8-3-5-9(7)4-2-6-10/h10H,2-6H2,1H3
InChIKeyPIHMLJCZYLKCJW-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.10
Rot. Bonds3

About 3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol

3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol (PubChem CID 20748339) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol
PubChem CID20748339
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESCC1=NCCN1CCCO
InChIInChI=1S/C7H14N2O/c1-7-8-3-5-9(7)4-2-6-10/h10H,2-6H2,1H3
InChIKeyPIHMLJCZYLKCJW-UHFFFAOYSA-N
XLogP0.10
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

2-(2-Methyl-2-imidazolin-1-yl)ethanol
CID 69669
(1,2-Dimethyl-4,5-dihydroimidazol-1-ium-1-yl)methanol
CID 18684774
(2-Methyl-4,5-dihydroimidazol-1-yl)methanol
CID 18725586
2-(2-Methoxyethyl)-1-methyl-4,5-dihydroimidazole
CID 18727558
2-(2-Methyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 19766334
1-(2-Methyl-4,5-dihydroimidazol-1-yl)propan-2-ol
CID 19766411
1-(4,5-Dihydroimidazol-1-yl)propan-1-ol
CID 19961313
1-(2-Methyl-4,5-dihydroimidazol-1-yl)ethanol
CID 20159204
3-(1,2-Dimethyl-4,5-dihydroimidazol-1-ium-1-yl)propan-1-ol
CID 20748338
2-(2-Ethyl-4,5-dihydro-1H-imidazol-1-yl)ethan-1-ol
CID 21813448
2-(2,3-Dimethyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
CID 22044309
2-(1,3-Dimethyl-4,5-dihydroimidazol-1-ium-2-yl)ethanol
CID 22044315

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol (CID 20748339) is 3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol is CC1=NCCN1CCCO.
What is the InChIKey of 3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
The InChIKey is PIHMLJCZYLKCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7-8-3-5-9(7)4-2-6-10/h10H,2-6H2,1H3.
What are the key properties of 3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol has a molecular weight of 142.20 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 20748339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).