2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one

C20H16ClN5O2 — CID 135824234

IUPAC2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(/N=N/c2c(O)n(Cc3ccc(Cl)cc3)c3ccccc23)n1
InChIInChI=1S/C20H16ClN5O2/c1-12-10-17(27)23-20(22-12)25-24-18-15-4-2-3-5-16(15)26(19(18)28)11-13-6-8-14(21)9-7-13/h2-10,28H,11H2,1H3,(H,22,23,27)/b25-24+
InChIKeyXYSZHQJPHPOWLC-OCOZRVBESA-N
MW393.83 g/mol
LogP4.86
Rot. Bonds4

About 2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one

2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135824234) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135824234
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(/N=N/c2c(O)n(Cc3ccc(Cl)cc3)c3ccccc23)n1
InChIInChI=1S/C20H16ClN5O2/c1-12-10-17(27)23-20(22-12)25-24-18-15-4-2-3-5-16(15)26(19(18)28)11-13-6-8-14(21)9-7-13/h2-10,28H,11H2,1H3,(H,22,23,27)/b25-24+
InChIKeyXYSZHQJPHPOWLC-OCOZRVBESA-N
XLogP4.86
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
CID 135824238
N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 2357347
1-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-3-(4-methylphenyl)thiourea
CID 4116957
3-(1,3-benzothiazol-2-yldiazenyl)-1-[(4-chlorophenyl)methyl]indol-2-ol
CID 4264321
1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
CID 4989962
1-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-3-(2,4,6-trimethylphenyl)thiourea
CID 4116966
[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 767162
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol
CID 135823984
3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol
CID 3655965
N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
CID 3532404
1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one (CID 135824234) is 2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(/N=N/c2c(O)n(Cc3ccc(Cl)cc3)c3ccccc23)n1.
What is the InChIKey of 2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XYSZHQJPHPOWLC-OCOZRVBESA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-12-10-17(27)23-20(22-12)25-24-18-15-4-2-3-5-16(15)26(19(18)28)11-13-6-8-14(21)9-7-13/h2-10,28H,11H2,1H3,(H,22,23,27)/b25-24+.
What are the key properties of 2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one?
2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 393.83 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135824234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).