1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine

C33H29N9 — CID 122212512

IUPAC1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine
SMILESCn1ccnc1/C=N/c1ccc(-c2cc(/N=C/c3nccn3C)cc(-c3ccc(/N=C/c4nccn4C)cc3)c2)cc1
InChIInChI=1S/C33H29N9/c1-40-15-12-34-31(40)21-37-28-8-4-24(5-9-28)26-18-27(20-30(19-26)39-23-33-36-14-17-42(33)3)25-6-10-29(11-7-25)38-22-32-35-13-16-41(32)2/h4-23H,1-3H3/b37-21+,38-22+,39-23+
InChIKeyCBKQTGYDKOLTAZ-GNYBKIFRSA-N
MW551.66 g/mol
LogP6.47
Rot. Bonds8

About 1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine

1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine (PubChem CID 122212512) has the molecular formula C33H29N9 and a molecular weight of 551.66 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine
PubChem CID122212512
Molecular FormulaC33H29N9
Molecular Weight551.66 g/mol
Exact Mass551.25
IUPAC Name1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine
SMILESCn1ccnc1/C=N/c1ccc(-c2cc(/N=C/c3nccn3C)cc(-c3ccc(/N=C/c4nccn4C)cc3)c2)cc1
InChIInChI=1S/C33H29N9/c1-40-15-12-34-31(40)21-37-28-8-4-24(5-9-28)26-18-27(20-30(19-26)39-23-33-36-14-17-42(33)3)25-6-10-29(11-7-25)38-22-32-35-13-16-41(32)2/h4-23H,1-3H3/b37-21+,38-22+,39-23+
InChIKeyCBKQTGYDKOLTAZ-GNYBKIFRSA-N
XLogP6.47
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.66
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine (CID 122212512) is 1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine is Cn1ccnc1/C=N/c1ccc(-c2cc(/N=C/c3nccn3C)cc(-c3ccc(/N=C/c4nccn4C)cc3)c2)cc1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine?
The InChIKey is CBKQTGYDKOLTAZ-GNYBKIFRSA-N. The full InChI is InChI=1S/C33H29N9/c1-40-15-12-34-31(40)21-37-28-8-4-24(5-9-28)26-18-27(20-30(19-26)39-23-33-36-14-17-42(33)3)25-6-10-29(11-7-25)38-22-32-35-13-16-41(32)2/h4-23H,1-3H3/b37-21+,38-22+,39-23+.
What are the key properties of 1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine?
1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine has a molecular weight of 551.66 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine is sourced from PubChem (CID 122212512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).