3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol

C17H19N3O — CID 123538235

IUPAC3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol
SMILESCCC/N=C1\C=Cc2ncc(-c3cccc(O)c3)n2CC1
InChIInChI=1S/C17H19N3O/c1-2-9-18-14-6-7-17-19-12-16(20(17)10-8-14)13-4-3-5-15(21)11-13/h3-7,11-12,21H,2,8-10H2,1H3/b18-14+
InChIKeyMUSRASJHKDWFOU-NBVRZTHBSA-N
MW281.36 g/mol
LogP3.52
Rot. Bonds3

About 3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol

3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol (PubChem CID 123538235) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol.

Molecular Properties

Compound Name3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol
PubChem CID123538235
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol
SMILESCCC/N=C1\C=Cc2ncc(-c3cccc(O)c3)n2CC1
InChIInChI=1S/C17H19N3O/c1-2-9-18-14-6-7-17-19-12-16(20(17)10-8-14)13-4-3-5-15(21)11-13/h3-7,11-12,21H,2,8-10H2,1H3/b18-14+
InChIKeyMUSRASJHKDWFOU-NBVRZTHBSA-N
XLogP3.52
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenol
CID 175833776
3-(7-methyl-5,6-dihydroimidazo[1,2-a]pyridin-3-yl)aniline
CID 143707301
3-[6-[3-(diethylamino)propoxy]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 71154364
3-(3-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151730
3-[3-(2,2-dimethylpropyl)imidazol-4-yl]phenol
CID 14868323
3-amino-1-ethyl-6-(3-hydroxyphenyl)pyridin-2-one
CID 105487975
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 105392004
3-[3-(1-aminocyclopropyl)-1-methylpyrazol-5-yl]phenol
CID 105486880
3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol
CID 28942305
3-[5-amino-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrazin-2-yl]phenol
CID 126472160
3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol
CID 3068138

Frequently Asked Questions

What is the IUPAC name of 3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol?
The IUPAC name of 3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol (CID 123538235) is 3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol.
What is the SMILES notation for 3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol?
The canonical SMILES for 3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol is CCC/N=C1\C=Cc2ncc(-c3cccc(O)c3)n2CC1.
What is the InChIKey of 3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol?
The InChIKey is MUSRASJHKDWFOU-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-9-18-14-6-7-17-19-12-16(20(17)10-8-14)13-4-3-5-15(21)11-13/h3-7,11-12,21H,2,8-10H2,1H3/b18-14+.
What are the key properties of 3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol?
3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol has a molecular weight of 281.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-propylimino-5,6-dihydroimidazo[1,2-a]azepin-3-yl)phenol is sourced from PubChem (CID 123538235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).