N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine

C26H27N3O2 — CID 23966713

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine
SMILESCOc1cc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1OCCC(C)C
InChIInChI=1S/C26H27N3O2/c1-18(2)14-15-31-24-13-8-19(16-25(24)30-3)17-27-21-11-9-20(10-12-21)26-28-22-6-4-5-7-23(22)29-26/h4-13,16-18H,14-15H2,1-3H3,(H,28,29)/b27-17+
InChIKeyJBSPVTUZTHLIAY-WPWMEQJKSA-N
MW413.52 g/mol
LogP6.41
Rot. Bonds8

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine (PubChem CID 23966713) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine
PubChem CID23966713
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine
SMILESCOc1cc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1OCCC(C)C
InChIInChI=1S/C26H27N3O2/c1-18(2)14-15-31-24-13-8-19(16-25(24)30-3)17-27-21-11-9-20(10-12-21)26-28-22-6-4-5-7-23(22)29-26/h4-13,16-18H,14-15H2,1-3H3,(H,28,29)/b27-17+
InChIKeyJBSPVTUZTHLIAY-WPWMEQJKSA-N
XLogP6.41
TPSA59.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
CID 5230861
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 19224198
[4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]phenyl] thiocyanate
CID 23823839
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-bromophenyl)methanimine
CID 95911019
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
1-(3-methoxy-4-octoxyphenyl)-N-[4-[(3-methoxy-4-octoxyphenyl)methylideneamino]phenyl]methanimine
CID 102253343
2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole
CID 154048615
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine (CID 23966713) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine is COc1cc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1OCCC(C)C.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine?
The InChIKey is JBSPVTUZTHLIAY-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18(2)14-15-31-24-13-8-19(16-25(24)30-3)17-27-21-11-9-20(10-12-21)26-28-22-6-4-5-7-23(22)29-26/h4-13,16-18H,14-15H2,1-3H3,(H,28,29)/b27-17+.
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine has a molecular weight of 413.52 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine is sourced from PubChem (CID 23966713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).