N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine

C24H23N3O — CID 2311839

IUPACN-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc3c(c2)nc(C)n3Cc2ccccc2)cc1
InChIInChI=1S/C24H23N3O/c1-3-28-22-12-9-19(10-13-22)16-25-21-11-14-24-23(15-21)26-18(2)27(24)17-20-7-5-4-6-8-20/h4-16H,3,17H2,1-2H3/b25-16+
InChIKeyRXMSSXXWPFXQSP-PCLIKHOPSA-N
MW369.47 g/mol
LogP5.54
Rot. Bonds6

About N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine

N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine (PubChem CID 2311839) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine
PubChem CID2311839
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc3c(c2)nc(C)n3Cc2ccccc2)cc1
InChIInChI=1S/C24H23N3O/c1-3-28-22-12-9-19(10-13-22)16-25-21-11-14-24-23(15-21)26-18(2)27(24)17-20-7-5-4-6-8-20/h4-16H,3,17H2,1-2H3/b25-16+
InChIKeyRXMSSXXWPFXQSP-PCLIKHOPSA-N
XLogP5.54
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine?
The IUPAC name of N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine (CID 2311839) is N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine?
The canonical SMILES for N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine is CCOc1ccc(/C=N/c2ccc3c(c2)nc(C)n3Cc2ccccc2)cc1.
What is the InChIKey of N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine?
The InChIKey is RXMSSXXWPFXQSP-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H23N3O/c1-3-28-22-12-9-19(10-13-22)16-25-21-11-14-24-23(15-21)26-18(2)27(24)17-20-7-5-4-6-8-20/h4-16H,3,17H2,1-2H3/b25-16+.
What are the key properties of N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine?
N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine has a molecular weight of 369.47 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 2311839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).