2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine

C12H17N3 — CID 117291997

IUPAC2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1cccc(N2C=NCC2)c1
InChIInChI=1S/C12H17N3/c1-12(2,13)10-4-3-5-11(8-10)15-7-6-14-9-15/h3-5,8-9H,6-7,13H2,1-2H3
InChIKeyHCSAUIWTLWMNHY-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.73
Rot. Bonds2

About 2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine

2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine (PubChem CID 117291997) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine
PubChem CID117291997
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1cccc(N2C=NCC2)c1
InChIInChI=1S/C12H17N3/c1-12(2,13)10-4-3-5-11(8-10)15-7-6-14-9-15/h3-5,8-9H,6-7,13H2,1-2H3
InChIKeyHCSAUIWTLWMNHY-UHFFFAOYSA-N
XLogP1.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4,5-dihydroimidazol-1-yl)phenyl]propanal
CID 117290888
2-(3-morpholin-4-ylphenyl)propan-2-amine
CID 96607858
[1-[3-(4,5-dihydroimidazol-1-yl)phenyl]cyclopropyl]methanamine
CID 117307056
2-[3-(4,5-dihydroimidazol-1-yl)phenyl]-2-oxoacetic acid
CID 117310592
2-[3-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 117291048
1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole
CID 165177960
1-tert-butyl-4-(3-tert-butylphenyl)piperazine
CID 66600668
3-[4-(4,5-dihydroimidazol-1-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117368028
7-(4,5-dihydroimidazol-1-yl)-1,5-naphthyridin-2-amine
CID 71249442
1-[3-(trifluoromethyl)phenyl]-2H-imidazole
CID 158517979
2-hydroxy-2-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62225652
2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine
CID 116992517

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine?
The IUPAC name of 2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine (CID 117291997) is 2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine is CC(C)(N)c1cccc(N2C=NCC2)c1.
What is the InChIKey of 2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine?
The InChIKey is HCSAUIWTLWMNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-12(2,13)10-4-3-5-11(8-10)15-7-6-14-9-15/h3-5,8-9H,6-7,13H2,1-2H3.
What are the key properties of 2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine?
2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine has a molecular weight of 203.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dihydroimidazol-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 117291997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).