2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol

C19H19N3O2 — CID 136636012

IUPAC2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol
SMILESOc1ccccc1C(=NCCCn1ccnc1)c1ccccc1O
InChIInChI=1S/C19H19N3O2/c23-17-8-3-1-6-15(17)19(16-7-2-4-9-18(16)24)21-10-5-12-22-13-11-20-14-22/h1-4,6-9,11,13-14,23-24H,5,10,12H2
InChIKeyPUAMHCXLLBFAGO-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.22
Rot. Bonds6

About 2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol

2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol (PubChem CID 136636012) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol
PubChem CID136636012
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol
SMILESOc1ccccc1C(=NCCCn1ccnc1)c1ccccc1O
InChIInChI=1S/C19H19N3O2/c23-17-8-3-1-6-15(17)19(16-7-2-4-9-18(16)24)21-10-5-12-22-13-11-20-14-22/h1-4,6-9,11,13-14,23-24H,5,10,12H2
InChIKeyPUAMHCXLLBFAGO-UHFFFAOYSA-N
XLogP3.22
TPSA70.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(8-phenyloctyl)imidazole
CID 102394184
1-cyano-2-(3-imidazol-1-ylpropyl)-3-tritylguanidine
CID 24994827
5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 89368560
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-ethyl-2-(3-imidazol-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194497
2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine
CID 111030780
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(2-pyridin-2-ylpyridine)
CID 11585550
(E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 176908605
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562

Frequently Asked Questions

What is the IUPAC name of 2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol?
The IUPAC name of 2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol (CID 136636012) is 2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol.
What is the SMILES notation for 2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol?
The canonical SMILES for 2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol is Oc1ccccc1C(=NCCCn1ccnc1)c1ccccc1O.
What is the InChIKey of 2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol?
The InChIKey is PUAMHCXLLBFAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-17-8-3-1-6-15(17)19(16-7-2-4-9-18(16)24)21-10-5-12-22-13-11-20-14-22/h1-4,6-9,11,13-14,23-24H,5,10,12H2.
What are the key properties of 2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol?
2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol has a molecular weight of 321.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)carbonimidoyl]phenol is sourced from PubChem (CID 136636012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).