1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine

C20H14N4O2 — CID 4067599

IUPAC1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H14N4O2/c25-24(26)19-9-5-4-8-15(19)13-21-16-10-11-17-18(12-16)23-20(22-17)14-6-2-1-3-7-14/h1-13H,(H,22,23)/b21-13+
InChIKeyXNBRVUTYIQYWPX-FYJGNVAPSA-N
MW342.36 g/mol
LogP4.89
Rot. Bonds4

About 1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine

1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine (PubChem CID 4067599) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
PubChem CID4067599
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H14N4O2/c25-24(26)19-9-5-4-8-15(19)13-21-16-10-11-17-18(12-16)23-20(22-17)14-6-2-1-3-7-14/h1-13H,(H,22,23)/b21-13+
InChIKeyXNBRVUTYIQYWPX-FYJGNVAPSA-N
XLogP4.89
TPSA84.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dinitro-6-[(2-phenyl-3H-benzimidazol-5-yl)iminomethyl]benzene-1,3-diol
CID 4159625
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110527226
2-[[4-[6-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]iminomethyl]-4,6-dinitrophenol
CID 135412392
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(2-nitrophenyl)prop-2-en-1-imine
CID 78460603
1-(4-chlorophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
CID 15999560
N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
CID 794265
2-[[2-[4-[5-[(2-hydroxyphenyl)methylideneamino]-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazol-5-yl]iminomethyl]phenol
CID 135470120
1-(2-nitrophenyl)-N-[4-[6-[4-[(2-nitrophenyl)methylideneamino]phenyl]pyrimidin-4-yl]phenyl]methanimine
CID 45146285
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine
CID 1378215
2-[[3-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol
CID 682053
1-(2-nitrophenyl)-N-[4-[[4-[(2-nitrophenyl)methylideneamino]phenyl]disulfanyl]phenyl]methanimine
CID 87673126

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine?
The IUPAC name of 1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine (CID 4067599) is 1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine.
What is the SMILES notation for 1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine?
The canonical SMILES for 1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine is O=[N+]([O-])c1ccccc1/C=N/c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine?
The InChIKey is XNBRVUTYIQYWPX-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-24(26)19-9-5-4-8-15(19)13-21-16-10-11-17-18(12-16)23-20(22-17)14-6-2-1-3-7-14/h1-13H,(H,22,23)/b21-13+.
What are the key properties of 1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine?
1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine has a molecular weight of 342.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine is sourced from PubChem (CID 4067599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).