1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole

C34H24N4 — CID 155601746

IUPAC1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole
SMILESC(\c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1)=c1\[nH]/c(=C\c2ccccn2)c2ccccc12
InChIInChI=1S/C34H24N4/c1-2-14-27(15-3-1)38-33-19-7-6-18-30(33)37-34(38)25-12-10-11-24(21-25)22-31-28-16-4-5-17-29(28)32(36-31)23-26-13-8-9-20-35-26/h1-23,36H/b31-22-,32-23-
InChIKeyLHAZEGGRCCJXIN-MFOXLFKDSA-N
MW488.59 g/mol
LogP6.23
Rot. Bonds4

About 1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole

1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole (PubChem CID 155601746) has the molecular formula C34H24N4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole
PubChem CID155601746
Molecular FormulaC34H24N4
Molecular Weight488.59 g/mol
Exact Mass488.20
IUPAC Name1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole
SMILESC(\c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1)=c1\[nH]/c(=C\c2ccccn2)c2ccccc12
InChIInChI=1S/C34H24N4/c1-2-14-27(15-3-1)38-33-19-7-6-18-30(33)37-34(38)25-12-10-11-24(21-25)22-31-28-16-4-5-17-29(28)32(36-31)23-26-13-8-9-20-35-26/h1-23,36H/b31-22-,32-23-
InChIKeyLHAZEGGRCCJXIN-MFOXLFKDSA-N
XLogP6.23
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole (CID 155601746) is 1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole is C(\c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1)=c1\[nH]/c(=C\c2ccccn2)c2ccccc12.
What is the InChIKey of 1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole?
The InChIKey is LHAZEGGRCCJXIN-MFOXLFKDSA-N. The full InChI is InChI=1S/C34H24N4/c1-2-14-27(15-3-1)38-33-19-7-6-18-30(33)37-34(38)25-12-10-11-24(21-25)22-31-28-16-4-5-17-29(28)32(36-31)23-26-13-8-9-20-35-26/h1-23,36H/b31-22-,32-23-.
What are the key properties of 1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole?
1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole has a molecular weight of 488.59 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-[(Z)-[(3Z)-3-(pyridin-2-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]benzimidazole is sourced from PubChem (CID 155601746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).