2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide

C23H17F3N4O — CID 110526638

IUPAC2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESO=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1ccc2nc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C23H17F3N4O/c24-23(25,26)18-9-6-16(7-10-18)14-27-30-22(31)17-8-11-19-20(13-17)29-21(28-19)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,28,29)(H,30,31)/b27-14-
InChIKeyCBZZJFZMIBDOOH-VYYCAZPPSA-N
MW422.41 g/mol
LogP4.94
Rot. Bonds5

About 2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide

2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide (PubChem CID 110526638) has the molecular formula C23H17F3N4O and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
PubChem CID110526638
Molecular FormulaC23H17F3N4O
Molecular Weight422.41 g/mol
Exact Mass422.14
IUPAC Name2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
SMILESO=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1ccc2nc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C23H17F3N4O/c24-23(25,26)18-9-6-16(7-10-18)14-27-30-22(31)17-8-11-19-20(13-17)29-21(28-19)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,28,29)(H,30,31)/b27-14-
InChIKeyCBZZJFZMIBDOOH-VYYCAZPPSA-N
XLogP4.94
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526687
2-benzyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526685
2-benzyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526697
[4-[(Z)-[(2-benzyl-3H-benzimidazole-5-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 110526655
2-benzyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526709
2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526607
2-[(4-methoxyphenyl)methyl]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526516
2-[(4-methoxyphenyl)methyl]-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526550
2-benzyl-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526681
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110526518
4-[(1H-benzimidazol-2-ylamino)methyl]-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 71594333
2-[(Z)-[[2-[(4-methoxyphenyl)methyl]-3H-benzimidazole-5-carbonyl]hydrazinylidene]methyl]benzoic acid
CID 110526559

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide (CID 110526638) is 2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide is O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1ccc2nc(Cc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
The InChIKey is CBZZJFZMIBDOOH-VYYCAZPPSA-N. The full InChI is InChI=1S/C23H17F3N4O/c24-23(25,26)18-9-6-16(7-10-18)14-27-30-22(31)17-8-11-19-20(13-17)29-21(28-19)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,28,29)(H,30,31)/b27-14-.
What are the key properties of 2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide?
2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110526638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).