N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

C19H19F3N4O — CID 120568854

IUPACN-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C
InChIInChI=1S/C19H19F3N4O/c1-10(2)26-16-7-5-12(8-15(16)25-18(26)19(20,21)22)17(27)24-14-9-13(23)6-4-11(14)3/h4-10H,23H2,1-3H3,(H,24,27)
InChIKeyMNRLLTSUXIPHIT-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.78
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (PubChem CID 120568854) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
PubChem CID120568854
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC NameN-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C
InChIInChI=1S/C19H19F3N4O/c1-10(2)26-16-7-5-12(8-15(16)25-18(26)19(20,21)22)17(27)24-14-9-13(23)6-4-11(14)3/h4-10H,23H2,1-3H3,(H,24,27)
InChIKeyMNRLLTSUXIPHIT-UHFFFAOYSA-N
XLogP4.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (CID 120568854) is N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is Cc1ccc(N)cc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The InChIKey is MNRLLTSUXIPHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-10(2)26-16-7-5-12(8-15(16)25-18(26)19(20,21)22)17(27)24-14-9-13(23)6-4-11(14)3/h4-10H,23H2,1-3H3,(H,24,27).
What are the key properties of N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 120568854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).