6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine

C17H10F4N6 — CID 166873904

IUPAC6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
SMILESFc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1Nc1ncncn1
InChIInChI=1S/C17H10F4N6/c18-11-5-13-14(6-12(11)27-16-23-7-22-8-24-16)26-15(25-13)9-1-3-10(4-2-9)17(19,20)21/h1-8H,(H,25,26)(H,22,23,24,27)
InChIKeyYENMPCRMMQISSP-UHFFFAOYSA-N
MW374.30 g/mol
LogP4.32
Rot. Bonds3

About 6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine

6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine (PubChem CID 166873904) has the molecular formula C17H10F4N6 and a molecular weight of 374.30 g/mol. Its IUPAC name is 6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
PubChem CID166873904
Molecular FormulaC17H10F4N6
Molecular Weight374.30 g/mol
Exact Mass374.09
IUPAC Name6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
SMILESFc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1Nc1ncncn1
InChIInChI=1S/C17H10F4N6/c18-11-5-13-14(6-12(11)27-16-23-7-22-8-24-16)26-15(25-13)9-1-3-10(4-2-9)17(19,20)21/h1-8H,(H,25,26)(H,22,23,24,27)
InChIKeyYENMPCRMMQISSP-UHFFFAOYSA-N
XLogP4.32
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
CID 166873909
6-cyclopropyl-4-N-[6-fluoro-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 166873840
N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
CID 168807090
6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873267
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873230
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole
CID 166873743

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
The IUPAC name of 6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine (CID 166873904) is 6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine.
What is the SMILES notation for 6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
The canonical SMILES for 6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine is Fc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1Nc1ncncn1.
What is the InChIKey of 6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
The InChIKey is YENMPCRMMQISSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N6/c18-11-5-13-14(6-12(11)27-16-23-7-22-8-24-16)26-15(25-13)9-1-3-10(4-2-9)17(19,20)21/h1-8H,(H,25,26)(H,22,23,24,27).
What are the key properties of 6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine has a molecular weight of 374.30 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine is sourced from PubChem (CID 166873904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).