N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine

C20H15N3O — CID 24898173

IUPACN-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine
SMILESC(=N/c1ccc2nc[nH]c2c1)\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H15N3O/c1-2-6-17(7-3-1)24-18-8-4-5-15(11-18)13-21-16-9-10-19-20(12-16)23-14-22-19/h1-14H,(H,22,23)/b21-13+
InChIKeyCVSYMVXFCSCVCW-FYJGNVAPSA-N
MW313.36 g/mol
LogP5.11
Rot. Bonds4

About N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine

N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine (PubChem CID 24898173) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine
PubChem CID24898173
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC NameN-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine
SMILESC(=N/c1ccc2nc[nH]c2c1)\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H15N3O/c1-2-6-17(7-3-1)24-18-8-4-5-15(11-18)13-21-16-9-10-19-20(12-16)23-14-22-19/h1-14H,(H,22,23)/b21-13+
InChIKeyCVSYMVXFCSCVCW-FYJGNVAPSA-N
XLogP5.11
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine
CID 10881658
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine
CID 10689667
2-(3H-benzimidazol-5-yliminomethyl)-3-methoxyphenol
CID 622517
N-(2-chloro-3-pyridinyl)-1-(3-phenoxyphenyl)methanimine
CID 23732027
2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol
CID 137122842
4-(3H-benzimidazol-5-yloxy)aniline
CID 18375963
6-(4-methoxyphenoxy)-1H-benzimidazole
CID 59279300
N-(4-phenoxyphenyl)-1-pyridin-3-ylmethanimine
CID 23903931
N-(3-phenoxyphenyl)-1-thiophen-3-ylmethanimine
CID 23765720
2-(3H-benzimidazol-5-yliminomethyl)-4-methylphenol
CID 135988522
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine?
The IUPAC name of N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine (CID 24898173) is N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine is C(=N/c1ccc2nc[nH]c2c1)\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine?
The InChIKey is CVSYMVXFCSCVCW-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H15N3O/c1-2-6-17(7-3-1)24-18-8-4-5-15(11-18)13-21-16-9-10-19-20(12-16)23-14-22-19/h1-14H,(H,22,23)/b21-13+.
What are the key properties of N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine?
N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine has a molecular weight of 313.36 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine is sourced from PubChem (CID 24898173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).