N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide

C18H11F3N4O — CID 11187401

IUPACN-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc2cccnc2c1)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)11-4-6-13-15(8-11)25-16(24-13)17(26)23-12-5-3-10-2-1-7-22-14(10)9-12/h1-9H,(H,23,26)(H,24,25)
InChIKeyGPKPYKGCNZVHTH-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.38
Rot. Bonds2

About N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide

N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide (PubChem CID 11187401) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
PubChem CID11187401
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC NameN-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1ccc2cccnc2c1)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)11-4-6-13-15(8-11)25-16(24-13)17(26)23-12-5-3-10-2-1-7-22-14(10)9-12/h1-9H,(H,23,26)(H,24,25)
InChIKeyGPKPYKGCNZVHTH-UHFFFAOYSA-N
XLogP4.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide (CID 11187401) is N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide is O=C(Nc1ccc2cccnc2c1)c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide?
The InChIKey is GPKPYKGCNZVHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-18(20,21)11-4-6-13-15(8-11)25-16(24-13)17(26)23-12-5-3-10-2-1-7-22-14(10)9-12/h1-9H,(H,23,26)(H,24,25).
What are the key properties of N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide?
N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide has a molecular weight of 356.31 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-7-yl-6-(trifluoromethyl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 11187401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).