4,5-bis(benzimidazol-1-ylmethyl)acridine

C29H21N5 — CID 102172067

IUPAC4,5-bis(benzimidazol-1-ylmethyl)acridine
SMILESc1cc(Cn2cnc3ccccc32)c2nc3c(Cn4cnc5ccccc54)cccc3cc2c1
InChIInChI=1S/C29H21N5/c1-3-13-26-24(11-1)30-18-33(26)16-22-9-5-7-20-15-21-8-6-10-23(29(21)32-28(20)22)17-34-19-31-25-12-2-4-14-27(25)34/h1-15,18-19H,16-17H2
InChIKeyRNWXKUPADAXLRU-UHFFFAOYSA-N
MW439.52 g/mol
LogP6.18
Rot. Bonds4

About 4,5-bis(benzimidazol-1-ylmethyl)acridine

4,5-bis(benzimidazol-1-ylmethyl)acridine (PubChem CID 102172067) has the molecular formula C29H21N5 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4,5-bis(benzimidazol-1-ylmethyl)acridine.

Molecular Properties

Compound Name4,5-bis(benzimidazol-1-ylmethyl)acridine
PubChem CID102172067
Molecular FormulaC29H21N5
Molecular Weight439.52 g/mol
Exact Mass439.18
IUPAC Name4,5-bis(benzimidazol-1-ylmethyl)acridine
SMILESc1cc(Cn2cnc3ccccc32)c2nc3c(Cn4cnc5ccccc54)cccc3cc2c1
InChIInChI=1S/C29H21N5/c1-3-13-26-24(11-1)30-18-33(26)16-22-9-5-7-20-15-21-8-6-10-23(29(21)32-28(20)22)17-34-19-31-25-12-2-4-14-27(25)34/h1-15,18-19H,16-17H2
InChIKeyRNWXKUPADAXLRU-UHFFFAOYSA-N
XLogP6.18
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(benzimidazol-1-ylmethyl)-2-bromoaniline
CID 114048546
1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 830340
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
2-(benzimidazol-1-ylmethyl)-5-fluoroaniline
CID 64768227
1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
CID 113411916
1-[(2-propoxyphenyl)methyl]benzimidazole
CID 15840178
2-(benzimidazol-1-ylmethyl)-6-phenylbenzoic acid
CID 154459870
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methanamine
CID 102663221
1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 830343

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(benzimidazol-1-ylmethyl)acridine?
The IUPAC name of 4,5-bis(benzimidazol-1-ylmethyl)acridine (CID 102172067) is 4,5-bis(benzimidazol-1-ylmethyl)acridine.
What is the SMILES notation for 4,5-bis(benzimidazol-1-ylmethyl)acridine?
The canonical SMILES for 4,5-bis(benzimidazol-1-ylmethyl)acridine is c1cc(Cn2cnc3ccccc32)c2nc3c(Cn4cnc5ccccc54)cccc3cc2c1.
What is the InChIKey of 4,5-bis(benzimidazol-1-ylmethyl)acridine?
The InChIKey is RNWXKUPADAXLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5/c1-3-13-26-24(11-1)30-18-33(26)16-22-9-5-7-20-15-21-8-6-10-23(29(21)32-28(20)22)17-34-19-31-25-12-2-4-14-27(25)34/h1-15,18-19H,16-17H2.
What are the key properties of 4,5-bis(benzimidazol-1-ylmethyl)acridine?
4,5-bis(benzimidazol-1-ylmethyl)acridine has a molecular weight of 439.52 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(benzimidazol-1-ylmethyl)acridine is sourced from PubChem (CID 102172067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).