1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine

C21H15N5 — CID 136534856

IUPAC1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine
SMILESC(=N/c1cccc(-c2nc3ccccc3[nH]2)c1)\c1nc2ccccc2[nH]1
InChIInChI=1S/C21H15N5/c1-2-9-17-16(8-1)23-20(24-17)13-22-15-7-5-6-14(12-15)21-25-18-10-3-4-11-19(18)26-21/h1-13H,(H,23,24)(H,25,26)/b22-13+
InChIKeyFJZABTXTXJEGJK-LPYMAVHISA-N
MW337.39 g/mol
LogP4.86
Rot. Bonds3

About 1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine

1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine (PubChem CID 136534856) has the molecular formula C21H15N5 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine
PubChem CID136534856
Molecular FormulaC21H15N5
Molecular Weight337.39 g/mol
Exact Mass337.13
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine
SMILESC(=N/c1cccc(-c2nc3ccccc3[nH]2)c1)\c1nc2ccccc2[nH]1
InChIInChI=1S/C21H15N5/c1-2-9-17-16(8-1)23-20(24-17)13-22-15-7-5-6-14(12-15)21-25-18-10-3-4-11-19(18)26-21/h1-13H,(H,23,24)(H,25,26)/b22-13+
InChIKeyFJZABTXTXJEGJK-LPYMAVHISA-N
XLogP4.86
TPSA69.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol
CID 682053
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
2-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1H-benzimidazole
CID 168554502
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-(3-methylsulfanylphenyl)-1H-benzimidazole
CID 168553583
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine
CID 95911019
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine (CID 136534856) is 1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine is C(=N/c1cccc(-c2nc3ccccc3[nH]2)c1)\c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine?
The InChIKey is FJZABTXTXJEGJK-LPYMAVHISA-N. The full InChI is InChI=1S/C21H15N5/c1-2-9-17-16(8-1)23-20(24-17)13-22-15-7-5-6-14(12-15)21-25-18-10-3-4-11-19(18)26-21/h1-13H,(H,23,24)(H,25,26)/b22-13+.
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine?
1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine has a molecular weight of 337.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine is sourced from PubChem (CID 136534856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).