3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline

C25H25N5 — CID 156644269

IUPAC3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline
SMILESCc1c(N)c(C)c(Cn2cnc3ccccc32)c(C)c1Cn1cnc2ccccc21
InChIInChI=1S/C25H25N5/c1-16-19(12-29-14-27-21-8-4-6-10-23(21)29)17(2)25(26)18(3)20(16)13-30-15-28-22-9-5-7-11-24(22)30/h4-11,14-15H,12-13,26H2,1-3H3
InChIKeyPLWYLMVMZHNMCC-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.99
Rot. Bonds4

About 3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline

3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline (PubChem CID 156644269) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound Name3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline
PubChem CID156644269
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline
SMILESCc1c(N)c(C)c(Cn2cnc3ccccc32)c(C)c1Cn1cnc2ccccc21
InChIInChI=1S/C25H25N5/c1-16-19(12-29-14-27-21-8-4-6-10-23(21)29)17(2)25(26)18(3)20(16)13-30-15-28-22-9-5-7-11-24(22)30/h4-11,14-15H,12-13,26H2,1-3H3
InChIKeyPLWYLMVMZHNMCC-UHFFFAOYSA-N
XLogP4.99
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 830343
4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine
CID 62209553
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 112684885
1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 830340
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
CID 102879192
3-(benzimidazol-1-ylmethyl)-2-bromoaniline
CID 114048546
2-(benzimidazol-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 130231841
2-(benzimidazol-1-ylmethyl)-5-fluoroaniline
CID 64768227
1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
CID 113411916
5-(benzimidazol-1-ylmethyl)-2-chloroaniline
CID 43169019

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline?
The IUPAC name of 3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline (CID 156644269) is 3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline.
What is the SMILES notation for 3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline?
The canonical SMILES for 3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline is Cc1c(N)c(C)c(Cn2cnc3ccccc32)c(C)c1Cn1cnc2ccccc21.
What is the InChIKey of 3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline?
The InChIKey is PLWYLMVMZHNMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-16-19(12-29-14-27-21-8-4-6-10-23(21)29)17(2)25(26)18(3)20(16)13-30-15-28-22-9-5-7-11-24(22)30/h4-11,14-15H,12-13,26H2,1-3H3.
What are the key properties of 3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline?
3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline has a molecular weight of 395.51 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 156644269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).