1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine

C40H26Br2N6 — CID 135971364

IUPAC1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine
SMILESBrc1ccc(/C=N/c2ccc(-c3nc4cc(-c5ccc6[nH]c(-c7ccc(/N=C/c8ccc(Br)cc8)cc7)nc6c5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C40H26Br2N6/c41-31-11-1-25(2-12-31)23-43-33-15-5-27(6-16-33)39-45-35-19-9-29(21-37(35)47-39)30-10-20-36-38(22-30)48-40(46-36)28-7-17-34(18-8-28)44-24-26-3-13-32(42)14-4-26/h1-24H,(H,45,47)(H,46,48)/b43-23+,44-24+
InChIKeyPXYSREWPKAOGFG-ADHDEERNSA-N
MW750.50 g/mol
LogP11.47
Rot. Bonds7

About 1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine

1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine (PubChem CID 135971364) has the molecular formula C40H26Br2N6 and a molecular weight of 750.50 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine
PubChem CID135971364
Molecular FormulaC40H26Br2N6
Molecular Weight750.50 g/mol
Exact Mass748.06
IUPAC Name1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine
SMILESBrc1ccc(/C=N/c2ccc(-c3nc4cc(-c5ccc6[nH]c(-c7ccc(/N=C/c8ccc(Br)cc8)cc7)nc6c5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C40H26Br2N6/c41-31-11-1-25(2-12-31)23-43-33-15-5-27(6-16-33)39-45-35-19-9-29(21-37(35)47-39)30-10-20-36-38(22-30)48-40(46-36)28-7-17-34(18-8-28)44-24-26-3-13-32(42)14-4-26/h1-24H,(H,45,47)(H,46,48)/b43-23+,44-24+
InChIKeyPXYSREWPKAOGFG-ADHDEERNSA-N
XLogP11.47
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.50
LogP ≤ 511.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine?
The IUPAC name of 1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine (CID 135971364) is 1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine is Brc1ccc(/C=N/c2ccc(-c3nc4cc(-c5ccc6[nH]c(-c7ccc(/N=C/c8ccc(Br)cc8)cc7)nc6c5)ccc4[nH]3)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine?
The InChIKey is PXYSREWPKAOGFG-ADHDEERNSA-N. The full InChI is InChI=1S/C40H26Br2N6/c41-31-11-1-25(2-12-31)23-43-33-15-5-27(6-16-33)39-45-35-19-9-29(21-37(35)47-39)30-10-20-36-38(22-30)48-40(46-36)28-7-17-34(18-8-28)44-24-26-3-13-32(42)14-4-26/h1-24H,(H,45,47)(H,46,48)/b43-23+,44-24+.
What are the key properties of 1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine?
1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine has a molecular weight of 750.50 g/mol, XLogP of 11.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine is sourced from PubChem (CID 135971364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).