1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine

C17H14F3N3O — CID 17387645

IUPAC1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine
SMILESCCOc1ccc(/C=N/c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C17H14F3N3O/c1-2-24-13-6-3-11(4-7-13)10-21-12-5-8-14-15(9-12)23-16(22-14)17(18,19)20/h3-10H,2H2,1H3,(H,22,23)/b21-10+
InChIKeyKIKPQHBHDOMAFZ-UFFVCSGVSA-N
MW333.31 g/mol
LogP4.73
Rot. Bonds4

About 1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine

1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine (PubChem CID 17387645) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine
PubChem CID17387645
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine
SMILESCCOc1ccc(/C=N/c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1
InChIInChI=1S/C17H14F3N3O/c1-2-24-13-6-3-11(4-7-13)10-21-12-5-8-14-15(9-12)23-16(22-14)17(18,19)20/h3-10H,2H2,1H3,(H,22,23)/b21-10+
InChIKeyKIKPQHBHDOMAFZ-UFFVCSGVSA-N
XLogP4.73
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]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

1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
1-[4-[[4,6-bis[4-[(4-ethoxyphenyl)iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 146036776
1-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-yl)methanimine
CID 3408092
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511818
N-(3,5-dichlorophenyl)-1-(4-ethoxyphenyl)methanimine
CID 693665
6-isocyanato-2-(trifluoromethyl)-1H-benzimidazole
CID 169354176
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
1-(4-ethoxyphenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine
CID 835095
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
2-[(4-ethoxyphenoxy)methyl]-3H-benzimidazole-5-carbaldehyde
CID 84756475

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine (CID 17387645) is 1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine is CCOc1ccc(/C=N/c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine?
The InChIKey is KIKPQHBHDOMAFZ-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-2-24-13-6-3-11(4-7-13)10-21-12-5-8-14-15(9-12)23-16(22-14)17(18,19)20/h3-10H,2H2,1H3,(H,22,23)/b21-10+.
What are the key properties of 1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine?
1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine has a molecular weight of 333.31 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanimine is sourced from PubChem (CID 17387645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).