N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide

C15H8Cl2F3N3O2 — CID 54303424

IUPACN-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NOc1cccc(Cl)c1Cl)c1cccc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C15H8Cl2F3N3O2/c16-8-4-2-6-10(11(8)17)25-23-13(24)7-3-1-5-9-12(7)22-14(21-9)15(18,19)20/h1-6H,(H,21,22)(H,23,24)
InChIKeySFVCVHFLAKTAFS-UHFFFAOYSA-N
MW390.15 g/mol
LogP4.61
Rot. Bonds3

About N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide

N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 54303424) has the molecular formula C15H8Cl2F3N3O2 and a molecular weight of 390.15 g/mol. Its IUPAC name is N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
PubChem CID54303424
Molecular FormulaC15H8Cl2F3N3O2
Molecular Weight390.15 g/mol
Exact Mass388.99
IUPAC NameN-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NOc1cccc(Cl)c1Cl)c1cccc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C15H8Cl2F3N3O2/c16-8-4-2-6-10(11(8)17)25-23-13(24)7-3-1-5-9-12(7)22-14(21-9)15(18,19)20/h1-6H,(H,21,22)(H,23,24)
InChIKeySFVCVHFLAKTAFS-UHFFFAOYSA-N
XLogP4.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.15
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(trifluoromethyl)-1H-benzimidazol-4-yl] acetate
CID 76845861
2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine
CID 142643857
N-(dibutyl-λ4-sulfanylidene)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
CID 58422638
ethyl 2-tert-butyl-1H-benzimidazole-4-carboxylate
CID 83422569
2-tert-butyl-1H-benzimidazole-4-carboxylic acid
CID 58856136
methyl 5-amino-2-(trifluoromethyl)-1H-benzimidazole-4-carboxylate
CID 164884349
4-chloro-1H-benzimidazole-2-carboxamide
CID 175457980
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)-1H-benzimidazole-4-carboxamide
CID 58279308
N-oxido-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydroxylamine
CID 163774905
2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
2-tert-butyl-1H-benzimidazole-4-carboxylic acid;hydrochloride
CID 66811072
2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68968407

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide (CID 54303424) is N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide is O=C(NOc1cccc(Cl)c1Cl)c1cccc2[nH]c(C(F)(F)F)nc12.
What is the InChIKey of N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is SFVCVHFLAKTAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3N3O2/c16-8-4-2-6-10(11(8)17)25-23-13(24)7-3-1-5-9-12(7)22-14(21-9)15(18,19)20/h1-6H,(H,21,22)(H,23,24).
What are the key properties of N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 390.15 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenoxy)-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 54303424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).