3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane

C25H21N5O3 — CID 162195447

IUPAC3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane
SMILESC.O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2c(/N=N/c2ccccc2)c1O
InChIInChI=1S/C24H17N5O3.CH4/c30-22-18(23(31)25-16-10-11-19-20(13-16)27-24(32)26-19)12-14-6-4-5-9-17(14)21(22)29-28-15-7-2-1-3-8-15;/h1-13,30H,(H,25,31)(H2,26,27,32);1H4/b29-28+;
InChIKeyZQWINNUFGFNPEO-IRWWKPKRSA-N
MW439.48 g/mol
LogP6.02
Rot. Bonds4

About 3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane

3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane (PubChem CID 162195447) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane.

Molecular Properties

Compound Name3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane
PubChem CID162195447
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane
SMILESC.O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2c(/N=N/c2ccccc2)c1O
InChIInChI=1S/C24H17N5O3.CH4/c30-22-18(23(31)25-16-10-11-19-20(13-16)27-24(32)26-19)12-14-6-4-5-9-17(14)21(22)29-28-15-7-2-1-3-8-15;/h1-13,30H,(H,25,31)(H2,26,27,32);1H4/b29-28+;
InChIKeyZQWINNUFGFNPEO-IRWWKPKRSA-N
XLogP6.02
TPSA122.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.48
LogP ≤ 56.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
2-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-11H-benzo[a]carbazole-3-carboxamide
CID 137495996
N-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515
3-hydroxy-N-(2-methylphenyl)-4-[[9-oxo-7-[[3-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]oxybut-1-en-2-yl]diazenyl]fluoren-2-yl]diazenyl]naphthalene-2-carboxamide
CID 136628099
4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide
CID 136599111
N-(3-chlorophenyl)-4-[[7-[[3-[(3-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 135584933
3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
CID 135731626
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 135731638
3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide
CID 137389574
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane?
The IUPAC name of 3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane (CID 162195447) is 3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane.
What is the SMILES notation for 3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane?
The canonical SMILES for 3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane is C.O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2c(/N=N/c2ccccc2)c1O.
What is the InChIKey of 3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane?
The InChIKey is ZQWINNUFGFNPEO-IRWWKPKRSA-N. The full InChI is InChI=1S/C24H17N5O3.CH4/c30-22-18(23(31)25-16-10-11-19-20(13-16)27-24(32)26-19)12-14-6-4-5-9-17(14)21(22)29-28-15-7-2-1-3-8-15;/h1-13,30H,(H,25,31)(H2,26,27,32);1H4/b29-28+;.
What are the key properties of 3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane?
3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane has a molecular weight of 439.48 g/mol, XLogP of 6.02, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane is sourced from PubChem (CID 162195447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).