1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile

C17H11FN4O — CID 162660372

IUPAC1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile
SMILESN#Cc1ncn(-c2ccc(F)cc2)c1/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H11FN4O/c18-13-3-5-14(6-4-13)22-11-21-16(9-19)17(22)20-10-12-1-7-15(23)8-2-12/h1-8,10-11,23H/b20-10+
InChIKeyHDXDLPZRHXAGSP-KEBDBYFISA-N
MW306.30 g/mol
LogP3.34
Rot. Bonds3

About 1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile

1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile (PubChem CID 162660372) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile
PubChem CID162660372
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile
SMILESN#Cc1ncn(-c2ccc(F)cc2)c1/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H11FN4O/c18-13-3-5-14(6-4-13)22-11-21-16(9-19)17(22)20-10-12-1-7-15(23)8-2-12/h1-8,10-11,23H/b20-10+
InChIKeyHDXDLPZRHXAGSP-KEBDBYFISA-N
XLogP3.34
TPSA74.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
4-[[5-(4-Fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
CID 11347754
2-Fluoro-4-(5-imidazol-1-ylmethyl-pyridin-2-yl)-phenol
CID 136008115
4-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenol
CID 398323
(2E)-3-(4-hydroxyphenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 135412021
Isonaamine A
CID 11087724
4-[1-(4-Hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol
CID 135502945
5-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-1-(4-fluorophenyl)imidazole-4-carbonitrile
CID 136346931
1-(4-fluorophenyl)-5-[(E)-(3,4,5-trihydroxyphenyl)methylideneamino]imidazole-4-carbonitrile
CID 136504249
1-(4-fluorophenyl)-5-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]imidazole-4-carbonitrile
CID 136504250
1-(4-fluorophenyl)-5-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]imidazole-4-carbonitrile
CID 162652590
1-(4-fluorophenyl)-5-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]imidazole-4-carbonitrile
CID 162657190

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile (CID 162660372) is 1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile is N#Cc1ncn(-c2ccc(F)cc2)c1/N=C/c1ccc(O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile?
The InChIKey is HDXDLPZRHXAGSP-KEBDBYFISA-N. The full InChI is InChI=1S/C17H11FN4O/c18-13-3-5-14(6-4-13)22-11-21-16(9-19)17(22)20-10-12-1-7-15(23)8-2-12/h1-8,10-11,23H/b20-10+.
What are the key properties of 1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile?
1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile has a molecular weight of 306.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(E)-(4-hydroxyphenyl)methylideneamino]imidazole-4-carbonitrile is sourced from PubChem (CID 162660372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).