N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide

C23H19F3N4O2 — CID 59127375

IUPACN-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide
SMILESCn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C23H19F3N4O2/c1-29-20-12-16(23(24,25)26)10-11-19(20)30(22(29)32)13-14-6-8-15(9-7-14)21(31)28-18-5-3-2-4-17(18)27/h2-12H,13,27H2,1H3,(H,28,31)
InChIKeyKSPVVGGTVDZOAI-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.24
Rot. Bonds4

About N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide

N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide (PubChem CID 59127375) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide
PubChem CID59127375
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC NameN-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide
SMILESCn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C23H19F3N4O2/c1-29-20-12-16(23(24,25)26)10-11-19(20)30(22(29)32)13-14-6-8-15(9-7-14)21(31)28-18-5-3-2-4-17(18)27/h2-12H,13,27H2,1H3,(H,28,31)
InChIKeyKSPVVGGTVDZOAI-UHFFFAOYSA-N
XLogP4.24
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
CID 11675218
4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide
CID 70324748
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 10159021
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 58708370
N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide
CID 11683515
N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide
CID 141267227
N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
CID 11545444
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 20785789

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide (CID 59127375) is N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide is Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide?
The InChIKey is KSPVVGGTVDZOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-29-20-12-16(23(24,25)26)10-11-19(20)30(22(29)32)13-14-6-8-15(9-7-14)21(31)28-18-5-3-2-4-17(18)27/h2-12H,13,27H2,1H3,(H,28,31).
What are the key properties of N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide?
N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide has a molecular weight of 440.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 59127375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).