2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol

C12H16N2O — CID 117292773

IUPAC2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1N1C=NCC1
InChIInChI=1S/C12H16N2O/c1-10(8-15)11-4-2-3-5-12(11)14-7-6-13-9-14/h2-5,9-10,15H,6-8H2,1H3
InChIKeyPSHDLRAEVLQUFV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.63
Rot. Bonds3

About 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol

2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol (PubChem CID 117292773) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol
PubChem CID117292773
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol
SMILESCC(CO)c1ccccc1N1C=NCC1
InChIInChI=1S/C12H16N2O/c1-10(8-15)11-4-2-3-5-12(11)14-7-6-13-9-14/h2-5,9-10,15H,6-8H2,1H3
InChIKeyPSHDLRAEVLQUFV-UHFFFAOYSA-N
XLogP1.63
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxypropyl)phenyl]-4,5-dihydroimidazole
CID 70542981
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
CID 117340762
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]propanal
CID 117290887
4-[2-(4,5-dihydroimidazol-1-yl)phenyl]butanoic acid
CID 117336300
1-[2-(4,5-dihydroimidazol-1-yl)phenyl]cyclopentan-1-amine
CID 117331093
N-[2-(4,5-dihydroimidazol-1-yl)phenyl]-2-(pyridin-4-ylamino)acetamide
CID 23036184
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine
CID 117355382
2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-1-ol
CID 117293630
2-[2-(1-methoxyethyl)phenyl]propan-1-ol
CID 117113507
2-[2-(fluoromethyl)phenyl]propan-1-ol
CID 117276627
2-phthalazin-5-ylpropan-1-ol
CID 117281159
2-[2-(thietan-3-yl)phenyl]propan-1-ol
CID 117298047

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol?
The IUPAC name of 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol (CID 117292773) is 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol is CC(CO)c1ccccc1N1C=NCC1.
What is the InChIKey of 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol?
The InChIKey is PSHDLRAEVLQUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(8-15)11-4-2-3-5-12(11)14-7-6-13-9-14/h2-5,9-10,15H,6-8H2,1H3.
What are the key properties of 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol?
2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 117292773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).