benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine

C19H16N4O2 — CID 139196668

IUPACbenzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine
SMILESOc1cccc(O)c1.c1cn(-c2ccc(-c3cncnc3)cc2)cn1
InChIInChI=1S/C13H10N4.C6H6O2/c1-3-13(17-6-5-14-10-17)4-2-11(1)12-7-15-9-16-8-12;7-5-2-1-3-6(8)4-5/h1-10H;1-4,7-8H
InChIKeyWZFJJFNWNCUXAT-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.43
Rot. Bonds2

About benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine

benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine (PubChem CID 139196668) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Namebenzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine
PubChem CID139196668
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Namebenzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine
SMILESOc1cccc(O)c1.c1cn(-c2ccc(-c3cncnc3)cc2)cn1
InChIInChI=1S/C13H10N4.C6H6O2/c1-3-13(17-6-5-14-10-17)4-2-11(1)12-7-15-9-16-8-12;7-5-2-1-3-6(8)4-5/h1-10H;1-4,7-8H
InChIKeyWZFJJFNWNCUXAT-UHFFFAOYSA-N
XLogP3.43
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine?
The IUPAC name of benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine (CID 139196668) is benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine.
What is the SMILES notation for benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine?
The canonical SMILES for benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine is Oc1cccc(O)c1.c1cn(-c2ccc(-c3cncnc3)cc2)cn1.
What is the InChIKey of benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine?
The InChIKey is WZFJJFNWNCUXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4.C6H6O2/c1-3-13(17-6-5-14-10-17)4-2-11(1)12-7-15-9-16-8-12;7-5-2-1-3-6(8)4-5/h1-10H;1-4,7-8H.
What are the key properties of benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine?
benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine has a molecular weight of 332.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;5-(4-imidazol-1-ylphenyl)pyrimidine is sourced from PubChem (CID 139196668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).