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

C18H11F4N5 — CID 166873909

IUPAC6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
SMILESFc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1Nc1ncccn1
InChIInChI=1S/C18H11F4N5/c19-12-8-14-15(9-13(12)27-17-23-6-1-7-24-17)26-16(25-14)10-2-4-11(5-3-10)18(20,21)22/h1-9H,(H,25,26)(H,23,24,27)
InChIKeyGRSHIYOKRURWCX-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.92
Rot. Bonds3

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

6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine (PubChem CID 166873909) has the molecular formula C18H11F4N5 and a molecular weight of 373.31 g/mol. Its IUPAC name is 6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
PubChem CID166873909
Molecular FormulaC18H11F4N5
Molecular Weight373.31 g/mol
Exact Mass373.10
IUPAC Name6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
SMILESFc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1Nc1ncccn1
InChIInChI=1S/C18H11F4N5/c19-12-8-14-15(9-13(12)27-17-23-6-1-7-24-17)26-16(25-14)10-2-4-11(5-3-10)18(20,21)22/h1-9H,(H,25,26)(H,23,24,27)
InChIKeyGRSHIYOKRURWCX-UHFFFAOYSA-N
XLogP4.92
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-(1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
CID 166873904
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
6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873267
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
N-pyrimidin-4-yl-2-[4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
CID 168807090
5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole
CID 166873743
6-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
CID 90468101
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
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
The IUPAC name of 6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine (CID 166873909) is 6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine.
What is the SMILES notation for 6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
The canonical SMILES for 6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine is Fc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1Nc1ncccn1.
What is the InChIKey of 6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
The InChIKey is GRSHIYOKRURWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5/c19-12-8-14-15(9-13(12)27-17-23-6-1-7-24-17)26-16(25-14)10-2-4-11(5-3-10)18(20,21)22/h1-9H,(H,25,26)(H,23,24,27).
What are the key properties of 6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine?
6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine has a molecular weight of 373.31 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine is sourced from PubChem (CID 166873909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).